REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1kq7_1_A DATA FIRST_RESID 4 DATA SEQUENCE VRSEKDSMGA IDVPADKLWG AQTQRSLEHF RISTEKMPTS LIHALALTKR DATA SEQUENCE AAAKVNEDLG LLSEEKASAI RQAADEVLAG QHDDEFPLAI WQTGSGTQSN DATA SEQUENCE MNMNEVLANR ASELLGGVRG MERKVHPNDD VNKSQSSNDV FPTAMHVAAL DATA SEQUENCE LALRKQLIPQ LKTLTQTLNE KSRAFADIVK IGRTHLQDAT PLTLGQEISG DATA SEQUENCE WVAMLEHNLK HIEYSLPHVA ELALGGTAVG TGLNTHPEYA RRVADELAVI DATA SEQUENCE TCAPFVTAPN KFEALATCDA LVQAHGALKG LAASLMKIAN DVRWLASGPR DATA SEQUENCE CGIGEISIPE NQPGSSIMPG KVNPTQCEAL TMLCCQVMGN DVAINMGGAS DATA SEQUENCE GNFELNVFRP MVIHNFLQSV RLLADGMESF NKHCAVGIEP NRERINQLLN DATA SEQUENCE ESLMLVTALN THIGYDKAAE IAKKAHKEGL TLKAAALALG YLSEAEFDSW DATA SEQUENCE VRPEQM VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 V HA 0.000 nan 4.120 nan 0.000 0.244 4 V C 0.000 176.065 176.094 -0.049 0.000 1.182 4 V CA 0.000 62.270 62.300 -0.051 0.000 1.235 4 V CB 0.000 31.804 31.823 -0.032 0.000 1.184 5 R N 0.683 121.149 120.500 -0.058 0.000 2.854 5 R HA 0.859 5.199 4.340 -0.000 0.000 0.271 5 R C -0.699 175.579 176.300 -0.036 0.000 0.994 5 R CA -0.252 55.818 56.100 -0.050 0.000 0.945 5 R CB 2.052 32.313 30.300 -0.065 0.000 1.194 5 R HN 1.077 nan 8.270 nan 0.000 0.476 6 S N 1.010 116.695 115.700 -0.026 0.000 2.430 6 S HA 0.187 4.657 4.470 -0.000 0.000 0.289 6 S C -0.581 174.011 174.600 -0.012 0.000 1.143 6 S CA -0.592 57.600 58.200 -0.014 0.000 1.067 6 S CB 0.532 63.727 63.200 -0.009 0.000 0.964 6 S HN 0.557 nan 8.310 nan 0.000 0.485 7 E N 3.104 123.303 120.200 -0.002 0.000 2.227 7 E HA 0.481 4.831 4.350 -0.000 0.000 0.268 7 E C -0.566 176.042 176.600 0.013 0.000 0.990 7 E CA -0.635 55.768 56.400 0.005 0.000 0.856 7 E CB 1.879 31.591 29.700 0.020 0.000 1.159 7 E HN 0.604 nan 8.360 nan 0.000 0.401 8 K N 1.201 121.611 120.400 0.016 0.000 2.551 8 K HA 0.241 4.561 4.320 -0.000 0.000 0.269 8 K C -1.660 174.955 176.600 0.024 0.000 0.949 8 K CA -0.457 55.841 56.287 0.018 0.000 0.849 8 K CB 1.467 33.976 32.500 0.015 0.000 1.411 8 K HN 0.515 nan 8.250 nan 0.000 0.432 9 D N -0.422 119.992 120.400 0.023 0.000 2.904 9 D HA 0.103 4.743 4.640 -0.000 0.000 0.290 9 D C 0.364 176.677 176.300 0.022 0.000 1.180 9 D CA -0.407 53.608 54.000 0.026 0.000 1.065 9 D CB 0.287 41.103 40.800 0.026 0.000 1.386 9 D HN 0.324 nan 8.370 nan 0.000 0.599 10 S N -1.426 114.287 115.700 0.022 0.000 2.660 10 S HA 0.006 4.476 4.470 -0.000 0.000 0.223 10 S C 1.142 175.753 174.600 0.018 0.000 0.963 10 S CA 0.135 58.346 58.200 0.019 0.000 0.932 10 S CB -0.605 62.606 63.200 0.017 0.000 0.775 10 S HN 0.484 nan 8.310 nan 0.000 0.531 11 M N 0.800 120.412 119.600 0.020 0.000 2.347 11 M HA 0.389 4.869 4.480 -0.000 0.000 0.302 11 M C 0.495 176.806 176.300 0.018 0.000 1.051 11 M CA 0.450 55.763 55.300 0.021 0.000 0.988 11 M CB 0.674 33.290 32.600 0.027 0.000 1.475 11 M HN 0.544 nan 8.290 nan 0.000 0.530 12 G N 0.927 109.737 108.800 0.016 0.000 2.525 12 G HA2 0.100 4.060 3.960 -0.000 0.000 0.685 12 G HA3 0.100 4.060 3.960 -0.000 0.000 0.685 12 G C -0.936 173.972 174.900 0.013 0.000 1.290 12 G CA -0.575 44.533 45.100 0.014 0.000 0.915 12 G HN 0.574 nan 8.290 nan 0.000 0.548 13 A N -0.355 122.472 122.820 0.011 0.000 2.322 13 A HA 0.781 5.101 4.320 -0.000 0.000 0.269 13 A C 0.178 177.768 177.584 0.010 0.000 1.094 13 A CA -0.068 51.975 52.037 0.010 0.000 0.807 13 A CB 0.926 19.930 19.000 0.007 0.000 1.047 13 A HN 1.847 nan 8.150 nan 0.000 0.487 14 I N 1.073 121.650 120.570 0.012 0.000 2.680 14 I HA 0.227 4.397 4.170 -0.000 0.000 0.291 14 I C -1.582 174.547 176.117 0.020 0.000 1.244 14 I CA -0.666 60.643 61.300 0.015 0.000 1.042 14 I CB 2.094 40.102 38.000 0.013 0.000 1.277 14 I HN 0.632 nan 8.210 nan 0.000 0.423 15 D N 5.893 126.304 120.400 0.019 0.000 2.371 15 D HA 0.256 4.896 4.640 -0.000 0.000 0.256 15 D C -0.167 176.154 176.300 0.035 0.000 1.193 15 D CA 0.366 54.375 54.000 0.015 0.000 0.881 15 D CB 1.886 42.692 40.800 0.010 0.000 1.143 15 D HN 0.192 nan 8.370 nan 0.000 0.473 16 V N 3.950 123.871 119.914 0.013 0.000 2.680 16 V HA 0.418 4.538 4.120 -0.000 0.000 0.309 16 V C -2.528 173.508 176.094 -0.097 0.000 1.052 16 V CA -2.545 59.760 62.300 0.008 0.000 0.908 16 V CB 2.349 34.163 31.823 -0.016 0.000 1.001 16 V HN 0.310 nan 8.190 nan 0.000 0.431 17 P HA 0.083 nan 4.420 nan 0.000 0.261 17 P C 0.381 177.531 177.300 -0.250 0.000 1.183 17 P CA 0.726 63.709 63.100 -0.194 0.000 0.761 17 P CB 0.822 32.365 31.700 -0.262 0.000 0.785 18 A N 4.773 127.496 122.820 -0.162 0.000 1.940 18 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 18 A C 1.601 179.080 177.584 -0.176 0.000 1.176 18 A CA 1.900 53.849 52.037 -0.148 0.000 0.631 18 A CB -0.946 17.996 19.000 -0.096 0.000 0.814 18 A HN 0.637 nan 8.150 nan 0.000 0.446 19 D N -1.107 119.187 120.400 -0.177 0.000 2.352 19 D HA 0.003 4.643 4.640 -0.000 0.000 0.232 19 D C -0.011 176.137 176.300 -0.254 0.000 1.055 19 D CA 0.396 54.295 54.000 -0.169 0.000 0.891 19 D CB 0.070 40.801 40.800 -0.115 0.000 0.897 19 D HN 0.078 nan 8.370 nan 0.000 0.529 20 K N 0.553 120.703 120.400 -0.416 0.000 2.259 20 K HA 0.345 4.665 4.320 -0.000 0.000 0.252 20 K C 0.900 177.143 176.600 -0.594 0.000 0.936 20 K CA -0.770 55.122 56.287 -0.657 0.000 0.810 20 K CB 2.455 34.142 32.500 -1.355 0.000 1.143 20 K HN -0.029 nan 8.250 nan 0.000 0.427 21 L N 0.739 121.689 121.223 -0.455 0.000 2.492 21 L HA 0.050 4.390 4.340 -0.000 0.000 0.223 21 L C 0.625 177.376 176.870 -0.199 0.000 1.132 21 L CA 0.095 54.757 54.840 -0.296 0.000 0.850 21 L CB -0.096 41.810 42.059 -0.255 0.000 0.966 21 L HN 0.562 nan 8.230 nan 0.000 0.454 22 W N -0.181 121.021 121.300 -0.163 0.000 2.049 22 W HA 0.557 5.217 4.660 0.000 0.000 0.356 22 W C 0.673 177.135 176.519 -0.095 0.000 1.323 22 W CA -0.695 56.564 57.345 -0.143 0.000 1.336 22 W CB -0.333 29.039 29.460 -0.146 0.000 1.176 22 W HN -0.170 nan 8.180 nan 0.000 0.623 23 G N -0.552 108.428 108.800 0.300 0.000 2.857 23 G HA2 0.462 4.422 3.960 -0.000 0.000 0.217 23 G HA3 0.462 4.422 3.960 -0.000 0.000 0.217 23 G C 0.621 175.645 174.900 0.208 0.000 1.357 23 G CA -0.449 44.755 45.100 0.174 0.000 1.033 23 G HN 0.924 nan 8.290 nan 0.000 0.571 24 A N -0.910 121.971 122.820 0.102 0.000 1.858 24 A HA -0.058 4.262 4.320 -0.000 0.000 0.216 24 A C 2.250 179.856 177.584 0.037 0.000 1.190 24 A CA 2.069 54.147 52.037 0.069 0.000 0.617 24 A CB -0.847 18.176 19.000 0.038 0.000 0.827 24 A HN 0.621 nan 8.150 nan 0.000 0.443 25 Q N -0.883 118.933 119.800 0.026 0.000 2.181 25 Q HA -0.142 4.198 4.340 -0.000 0.000 0.205 25 Q C 2.079 178.056 176.000 -0.038 0.000 0.980 25 Q CA 1.846 57.649 55.803 -0.000 0.000 0.862 25 Q CB -0.426 28.320 28.738 0.014 0.000 0.905 25 Q HN 0.682 nan 8.270 nan 0.000 0.429 26 T N 0.485 115.007 114.554 -0.054 0.000 2.812 26 T HA -0.148 4.202 4.350 -0.000 0.000 0.264 26 T C 1.732 176.250 174.700 -0.304 0.000 1.042 26 T CA 1.267 63.239 62.100 -0.214 0.000 1.140 26 T CB -0.091 68.579 68.868 -0.330 0.000 0.870 26 T HN 0.147 nan 8.240 nan 0.000 0.445 27 Q N 1.149 120.870 119.800 -0.131 0.000 2.224 27 Q HA 0.077 4.417 4.340 -0.000 0.000 0.203 27 Q C 2.188 178.129 176.000 -0.097 0.000 0.970 27 Q CA 1.357 57.144 55.803 -0.026 0.000 0.865 27 Q CB -0.150 28.714 28.738 0.210 0.000 0.922 27 Q HN 0.389 nan 8.270 nan 0.000 0.445 28 R N -0.667 119.755 120.500 -0.129 0.000 2.057 28 R HA -0.050 4.290 4.340 -0.000 0.000 0.229 28 R C 2.202 178.250 176.300 -0.420 0.000 1.136 28 R CA 1.449 57.393 56.100 -0.260 0.000 0.952 28 R CB -0.228 29.961 30.300 -0.186 0.000 0.848 28 R HN 0.425 nan 8.270 nan 0.000 0.430 29 S N 0.351 115.929 115.700 -0.203 0.000 2.507 29 S HA -0.101 4.369 4.470 -0.000 0.000 0.235 29 S C 1.817 176.410 174.600 -0.011 0.000 0.988 29 S CA 0.529 58.715 58.200 -0.023 0.000 0.944 29 S CB -0.118 63.213 63.200 0.218 0.000 0.762 29 S HN 0.236 nan 8.310 nan 0.000 0.526 30 L N 2.698 123.845 121.223 -0.126 0.000 2.201 30 L HA 0.061 4.401 4.340 -0.000 0.000 0.212 30 L C 2.219 179.050 176.870 -0.066 0.000 1.105 30 L CA 1.755 56.529 54.840 -0.110 0.000 0.775 30 L CB -0.565 41.385 42.059 -0.181 0.000 0.913 30 L HN 0.614 nan 8.230 nan 0.000 0.440 31 E N -3.693 116.436 120.200 -0.119 0.000 2.476 31 E HA 0.017 4.367 4.350 -0.000 0.000 0.196 31 E C 0.988 177.609 176.600 0.035 0.000 1.029 31 E CA 0.090 56.458 56.400 -0.053 0.000 0.896 31 E CB -0.113 29.558 29.700 -0.049 0.000 1.012 31 E HN 0.617 nan 8.360 nan 0.000 0.475 32 H N -0.486 118.466 119.070 -0.197 0.000 2.426 32 H HA 0.190 4.746 4.556 -0.000 0.000 0.286 32 H C 0.049 175.094 175.328 -0.470 0.000 0.990 32 H CA -0.105 55.694 56.048 -0.415 0.000 1.237 32 H CB 0.484 29.837 29.762 -0.680 0.000 1.466 32 H HN 0.050 nan 8.280 nan 0.000 0.525 33 F N 2.158 122.175 119.950 0.112 0.000 2.759 33 F HA 0.268 4.795 4.527 -0.000 0.000 0.322 33 F C 0.264 176.095 175.800 0.052 0.000 1.199 33 F CA -0.201 57.838 58.000 0.065 0.000 1.272 33 F CB -0.056 38.965 39.000 0.035 0.000 1.467 33 F HN -0.159 nan 8.300 nan 0.000 0.561 34 R N 1.784 122.370 120.500 0.143 0.000 3.657 34 R HA 0.399 4.739 4.340 -0.000 0.000 0.220 34 R C -0.540 175.830 176.300 0.116 0.000 1.548 34 R CA -0.016 56.147 56.100 0.106 0.000 1.465 34 R CB 0.069 30.402 30.300 0.055 0.000 1.330 34 R HN 0.379 nan 8.270 nan 0.000 0.707 35 I N 0.667 121.345 120.570 0.181 0.000 2.389 35 I HA 0.138 4.308 4.170 -0.000 0.000 0.288 35 I C 0.645 176.897 176.117 0.226 0.000 0.999 35 I CA -0.377 61.025 61.300 0.169 0.000 1.129 35 I CB 1.709 39.821 38.000 0.186 0.000 1.288 35 I HN 0.480 nan 8.210 nan 0.000 0.444 36 S N 3.970 119.738 115.700 0.114 0.000 3.160 36 S HA -0.264 4.206 4.470 -0.000 0.000 0.634 36 S C 1.051 175.744 174.600 0.156 0.000 2.861 36 S CA 1.560 59.835 58.200 0.124 0.000 3.097 36 S CB -0.581 62.694 63.200 0.125 0.000 0.331 36 S HN 0.985 nan 8.310 nan 0.000 1.767 37 T N -1.310 113.338 114.554 0.156 0.000 3.044 37 T HA 0.445 4.795 4.350 -0.000 0.000 0.260 37 T C 0.037 174.795 174.700 0.097 0.000 1.019 37 T CA 0.500 62.668 62.100 0.113 0.000 0.921 37 T CB 0.011 68.931 68.868 0.086 0.000 1.053 37 T HN 0.530 nan 8.240 nan 0.000 0.533 38 E N 2.023 122.299 120.200 0.128 0.000 2.344 38 E HA 0.499 4.849 4.350 -0.000 0.000 0.270 38 E C -0.211 176.302 176.600 -0.146 0.000 1.021 38 E CA 0.215 56.607 56.400 -0.014 0.000 0.887 38 E CB 0.749 30.371 29.700 -0.130 0.000 0.997 38 E HN 0.490 nan 8.360 nan 0.000 0.429 39 K N 1.639 121.976 120.400 -0.105 0.000 2.433 39 K HA 0.452 4.772 4.320 -0.000 0.000 0.252 39 K C -0.481 176.066 176.600 -0.089 0.000 1.015 39 K CA -1.159 55.064 56.287 -0.108 0.000 0.860 39 K CB 1.199 33.681 32.500 -0.030 0.000 1.359 39 K HN 0.286 nan 8.250 nan 0.000 0.452 40 M N 3.583 123.137 119.600 -0.078 0.000 2.327 40 M HA 0.065 4.545 4.480 -0.000 0.000 0.353 40 M C -2.028 174.242 176.300 -0.050 0.000 1.539 40 M CA -1.454 53.814 55.300 -0.053 0.000 1.039 40 M CB -0.922 31.650 32.600 -0.046 0.000 1.967 40 M HN 0.335 nan 8.290 nan 0.000 0.459 41 P HA 0.104 nan 4.420 nan 0.000 0.271 41 P C 0.517 177.743 177.300 -0.122 0.000 1.216 41 P CA -0.047 63.023 63.100 -0.050 0.000 0.776 41 P CB 0.365 32.052 31.700 -0.020 0.000 0.881 42 T N 1.866 116.325 114.554 -0.157 0.000 2.624 42 T HA -0.255 4.095 4.350 -0.000 0.000 0.266 42 T C 1.935 176.370 174.700 -0.442 0.000 1.050 42 T CA 2.832 64.742 62.100 -0.317 0.000 1.163 42 T CB -1.190 67.487 68.868 -0.318 0.000 0.861 42 T HN 0.704 nan 8.240 nan 0.000 0.443 43 S N 1.653 117.182 115.700 -0.285 0.000 2.392 43 S HA -0.146 4.324 4.470 -0.000 0.000 0.232 43 S C 1.965 176.495 174.600 -0.118 0.000 1.041 43 S CA 1.377 59.470 58.200 -0.179 0.000 1.026 43 S CB -0.690 62.466 63.200 -0.073 0.000 0.845 43 S HN 0.325 nan 8.310 nan 0.000 0.465 44 L N 1.191 122.338 121.223 -0.128 0.000 2.068 44 L HA 0.183 4.523 4.340 -0.000 0.000 0.204 44 L C 2.203 178.992 176.870 -0.135 0.000 1.076 44 L CA 1.284 56.051 54.840 -0.121 0.000 0.753 44 L CB -0.727 41.266 42.059 -0.110 0.000 0.910 44 L HN 0.194 nan 8.230 nan 0.000 0.439 45 I N -0.215 120.238 120.570 -0.195 0.000 2.208 45 I HA -0.340 3.830 4.170 -0.000 0.000 0.245 45 I C 2.572 178.630 176.117 -0.099 0.000 1.097 45 I CA 1.669 62.797 61.300 -0.288 0.000 1.363 45 I CB -1.586 36.129 38.000 -0.475 0.000 1.051 45 I HN 0.468 nan 8.210 nan 0.000 0.413 46 H N 0.277 119.261 119.070 -0.143 0.000 2.353 46 H HA -0.071 4.485 4.556 -0.000 0.000 0.300 46 H C 2.225 177.513 175.328 -0.066 0.000 1.090 46 H CA 1.014 57.016 56.048 -0.077 0.000 1.327 46 H CB 0.220 29.958 29.762 -0.041 0.000 1.383 46 H HN 0.351 nan 8.280 nan 0.000 0.508 47 A N 0.930 123.783 122.820 0.055 0.000 1.969 47 A HA -0.130 4.190 4.320 -0.000 0.000 0.218 47 A C 2.237 179.787 177.584 -0.056 0.000 1.169 47 A CA 0.981 53.008 52.037 -0.016 0.000 0.635 47 A CB -0.416 18.552 19.000 -0.054 0.000 0.810 47 A HN 0.268 nan 8.150 nan 0.000 0.445 48 L N -0.635 120.552 121.223 -0.061 0.000 2.156 48 L HA 0.088 4.428 4.340 -0.000 0.000 0.208 48 L C 2.616 179.480 176.870 -0.010 0.000 1.095 48 L CA 1.794 56.606 54.840 -0.047 0.000 0.770 48 L CB -0.672 41.364 42.059 -0.038 0.000 0.914 48 L HN 0.322 nan 8.230 nan 0.000 0.439 49 A N -0.813 122.007 122.820 -0.001 0.000 1.897 49 A HA -0.106 4.214 4.320 -0.000 0.000 0.215 49 A C 2.239 179.830 177.584 0.011 0.000 1.181 49 A CA 1.548 53.602 52.037 0.028 0.000 0.620 49 A CB -0.727 18.297 19.000 0.041 0.000 0.821 49 A HN 0.433 nan 8.150 nan 0.000 0.443 50 L N -0.611 120.609 121.223 -0.006 0.000 2.083 50 L HA -0.169 4.171 4.340 -0.000 0.000 0.209 50 L C 2.782 179.631 176.870 -0.036 0.000 1.083 50 L CA 1.738 56.567 54.840 -0.018 0.000 0.752 50 L CB -0.714 41.334 42.059 -0.018 0.000 0.899 50 L HN 0.347 nan 8.230 nan 0.000 0.433 51 T N -0.735 113.789 114.554 -0.049 0.000 2.708 51 T HA -0.155 4.195 4.350 -0.000 0.000 0.266 51 T C 1.945 176.632 174.700 -0.021 0.000 1.037 51 T CA 1.037 63.100 62.100 -0.062 0.000 1.146 51 T CB -0.024 68.803 68.868 -0.068 0.000 0.865 51 T HN 0.153 nan 8.240 nan 0.000 0.435 52 K N 1.047 121.450 120.400 0.006 0.000 2.057 52 K HA 0.042 4.362 4.320 -0.000 0.000 0.206 52 K C 2.358 178.973 176.600 0.025 0.000 1.050 52 K CA 0.874 57.179 56.287 0.030 0.000 0.935 52 K CB -0.399 32.130 32.500 0.048 0.000 0.715 52 K HN 0.281 nan 8.250 nan 0.000 0.439 53 R N 0.782 121.291 120.500 0.015 0.000 2.083 53 R HA -0.123 4.217 4.340 -0.000 0.000 0.237 53 R C 2.156 178.456 176.300 0.001 0.000 1.137 53 R CA 1.595 57.702 56.100 0.012 0.000 0.951 53 R CB -0.190 30.113 30.300 0.006 0.000 0.851 53 R HN 0.170 nan 8.270 nan 0.000 0.434 54 A N 0.547 123.357 122.820 -0.016 0.000 1.898 54 A HA -0.064 4.256 4.320 -0.000 0.000 0.216 54 A C 2.331 179.894 177.584 -0.034 0.000 1.181 54 A CA 1.586 53.602 52.037 -0.035 0.000 0.620 54 A CB -0.675 18.287 19.000 -0.064 0.000 0.819 54 A HN 0.538 nan 8.150 nan 0.000 0.442 55 A N -0.144 122.670 122.820 -0.011 0.000 1.933 55 A HA 0.177 4.497 4.320 -0.000 0.000 0.218 55 A C 2.468 180.098 177.584 0.076 0.000 1.175 55 A CA 1.984 54.048 52.037 0.045 0.000 0.628 55 A CB -0.918 18.144 19.000 0.104 0.000 0.814 55 A HN 1.028 nan 8.150 nan 0.000 0.444 56 A N -0.196 122.654 122.820 0.050 0.000 1.930 56 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 56 A C 2.054 179.659 177.584 0.034 0.000 1.175 56 A CA 2.253 54.318 52.037 0.046 0.000 0.627 56 A CB -0.348 18.673 19.000 0.036 0.000 0.815 56 A HN 0.442 nan 8.150 nan 0.000 0.443 57 K N 0.009 120.420 120.400 0.018 0.000 2.057 57 K HA -0.039 4.281 4.320 -0.000 0.000 0.206 57 K C 1.609 178.212 176.600 0.004 0.000 1.050 57 K CA 1.901 58.191 56.287 0.006 0.000 0.935 57 K CB -0.624 31.873 32.500 -0.005 0.000 0.715 57 K HN 0.200 nan 8.250 nan 0.000 0.439 58 V N 1.182 121.097 119.914 0.002 0.000 2.379 58 V HA -0.187 3.933 4.120 -0.000 0.000 0.245 58 V C 1.774 177.903 176.094 0.058 0.000 1.044 58 V CA 2.111 64.411 62.300 0.000 0.000 1.036 58 V CB -0.770 31.006 31.823 -0.079 0.000 0.664 58 V HN 0.394 nan 8.190 nan 0.000 0.453 59 N N 0.087 118.850 118.700 0.105 0.000 2.104 59 N HA -0.239 4.501 4.740 -0.000 0.000 0.190 59 N C 1.988 177.518 175.510 0.033 0.000 1.024 59 N CA 1.453 54.559 53.050 0.093 0.000 0.853 59 N CB -0.151 38.389 38.487 0.087 0.000 1.008 59 N HN 0.605 nan 8.380 nan 0.000 0.424 60 E N 0.927 121.142 120.200 0.025 0.000 2.085 60 E HA -0.235 4.115 4.350 -0.000 0.000 0.194 60 E C 0.700 177.297 176.600 -0.004 0.000 0.994 60 E CA 1.376 57.782 56.400 0.009 0.000 0.801 60 E CB 0.083 29.789 29.700 0.010 0.000 0.743 60 E HN 0.309 nan 8.360 nan 0.000 0.453 61 D N 0.196 120.590 120.400 -0.009 0.000 2.219 61 D HA -0.102 4.538 4.640 -0.000 0.000 0.205 61 D C 1.701 177.970 176.300 -0.051 0.000 0.970 61 D CA 0.759 54.745 54.000 -0.024 0.000 0.851 61 D CB 0.004 40.790 40.800 -0.024 0.000 0.943 61 D HN 0.287 nan 8.370 nan 0.000 0.488 62 L N -1.021 120.162 121.223 -0.066 0.000 2.592 62 L HA 0.245 4.585 4.340 -0.000 0.000 0.227 62 L C 1.468 178.287 176.870 -0.085 0.000 1.127 62 L CA 0.301 55.058 54.840 -0.138 0.000 0.884 62 L CB 0.037 41.975 42.059 -0.202 0.000 1.065 62 L HN 0.107 nan 8.230 nan 0.000 0.457 63 G N 0.240 109.015 108.800 -0.041 0.000 2.143 63 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.249 63 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.249 63 G C 0.780 175.672 174.900 -0.014 0.000 0.981 63 G CA 0.338 45.425 45.100 -0.022 0.000 0.665 63 G HN 0.319 nan 8.290 nan 0.000 0.528 64 L N -1.076 120.140 121.223 -0.013 0.000 2.395 64 L HA 0.401 4.741 4.340 -0.000 0.000 0.218 64 L C 1.393 178.264 176.870 0.002 0.000 1.130 64 L CA 0.680 55.517 54.840 -0.006 0.000 0.826 64 L CB -0.018 42.037 42.059 -0.006 0.000 0.941 64 L HN 0.273 nan 8.230 nan 0.000 0.451 65 L N -0.896 120.331 121.223 0.007 0.000 2.371 65 L HA 0.355 4.695 4.340 -0.000 0.000 0.262 65 L C -0.033 176.843 176.870 0.010 0.000 1.006 65 L CA -0.605 54.242 54.840 0.012 0.000 0.818 65 L CB 2.600 44.672 42.059 0.022 0.000 1.354 65 L HN -0.012 nan 8.230 nan 0.000 0.415 66 S N -0.381 115.327 115.700 0.013 0.000 2.601 66 S HA 0.140 4.610 4.470 -0.000 0.000 0.271 66 S C 0.704 175.311 174.600 0.012 0.000 1.305 66 S CA -0.537 57.670 58.200 0.011 0.000 1.022 66 S CB 1.728 64.936 63.200 0.013 0.000 0.940 66 S HN 0.801 nan 8.310 nan 0.000 0.525 67 E N 1.328 121.534 120.200 0.010 0.000 2.077 67 E HA -0.263 4.087 4.350 -0.000 0.000 0.193 67 E C 1.866 178.473 176.600 0.011 0.000 0.989 67 E CA 1.640 58.045 56.400 0.009 0.000 0.800 67 E CB -0.223 29.481 29.700 0.007 0.000 0.746 67 E HN 0.945 nan 8.360 nan 0.000 0.452 68 E N 0.528 120.735 120.200 0.012 0.000 2.160 68 E HA -0.222 4.128 4.350 -0.000 0.000 0.195 68 E C 1.939 178.548 176.600 0.015 0.000 0.991 68 E CA 1.115 57.523 56.400 0.012 0.000 0.810 68 E CB -0.085 29.623 29.700 0.012 0.000 0.742 68 E HN 0.147 nan 8.360 nan 0.000 0.466 69 K N 0.726 121.137 120.400 0.019 0.000 2.005 69 K HA 0.059 4.379 4.320 -0.000 0.000 0.206 69 K C 2.456 179.070 176.600 0.023 0.000 1.044 69 K CA 0.854 57.154 56.287 0.023 0.000 0.942 69 K CB -0.264 32.255 32.500 0.030 0.000 0.727 69 K HN 0.168 nan 8.250 nan 0.000 0.439 70 A N 1.255 124.089 122.820 0.022 0.000 1.892 70 A HA -0.249 4.071 4.320 -0.000 0.000 0.218 70 A C 2.257 179.853 177.584 0.020 0.000 1.188 70 A CA 2.386 54.437 52.037 0.023 0.000 0.631 70 A CB -0.902 18.110 19.000 0.020 0.000 0.822 70 A HN 0.315 nan 8.150 nan 0.000 0.447 71 S N -0.695 115.015 115.700 0.016 0.000 2.368 71 S HA -0.021 4.449 4.470 -0.000 0.000 0.225 71 S C 2.157 176.767 174.600 0.017 0.000 1.030 71 S CA 1.551 59.760 58.200 0.015 0.000 0.999 71 S CB -0.487 62.720 63.200 0.012 0.000 0.844 71 S HN 0.854 nan 8.310 nan 0.000 0.459 72 A N 1.361 124.191 122.820 0.017 0.000 1.902 72 A HA 0.029 4.349 4.320 -0.000 0.000 0.217 72 A C 2.083 179.679 177.584 0.020 0.000 1.181 72 A CA 1.451 53.498 52.037 0.017 0.000 0.623 72 A CB -0.722 18.286 19.000 0.013 0.000 0.818 72 A HN 0.636 nan 8.150 nan 0.000 0.443 73 I N -0.842 119.741 120.570 0.023 0.000 2.179 73 I HA -0.265 3.905 4.170 -0.000 0.000 0.242 73 I C 2.713 178.849 176.117 0.032 0.000 1.088 73 I CA 1.326 62.642 61.300 0.028 0.000 1.357 73 I CB -0.430 37.589 38.000 0.031 0.000 1.051 73 I HN 0.278 nan 8.210 nan 0.000 0.409 74 R N 0.446 120.963 120.500 0.027 0.000 2.105 74 R HA -0.243 4.097 4.340 -0.000 0.000 0.239 74 R C 2.285 178.601 176.300 0.028 0.000 1.135 74 R CA 1.573 57.688 56.100 0.024 0.000 0.967 74 R CB -0.434 29.877 30.300 0.017 0.000 0.861 74 R HN 0.493 nan 8.270 nan 0.000 0.442 75 Q N 0.294 120.112 119.800 0.029 0.000 2.172 75 Q HA -0.071 4.269 4.340 -0.000 0.000 0.200 75 Q C 1.954 177.987 176.000 0.055 0.000 0.964 75 Q CA 1.274 57.097 55.803 0.034 0.000 0.855 75 Q CB 0.057 28.812 28.738 0.028 0.000 0.918 75 Q HN 0.365 nan 8.270 nan 0.000 0.444 76 A N 0.490 123.345 122.820 0.058 0.000 1.929 76 A HA -0.023 4.297 4.320 -0.000 0.000 0.216 76 A C 2.227 179.880 177.584 0.115 0.000 1.176 76 A CA 1.336 53.422 52.037 0.083 0.000 0.628 76 A CB -0.798 18.224 19.000 0.037 0.000 0.816 76 A HN 0.515 nan 8.150 nan 0.000 0.444 77 A N 0.358 123.227 122.820 0.081 0.000 1.877 77 A HA -0.190 4.130 4.320 -0.000 0.000 0.216 77 A C 1.715 179.334 177.584 0.058 0.000 1.186 77 A CA 1.764 53.849 52.037 0.079 0.000 0.620 77 A CB -0.645 18.383 19.000 0.047 0.000 0.822 77 A HN 0.452 nan 8.150 nan 0.000 0.443 78 D N -0.199 120.223 120.400 0.035 0.000 2.265 78 D HA -0.134 4.506 4.640 -0.000 0.000 0.208 78 D C 1.761 178.066 176.300 0.007 0.000 0.977 78 D CA 1.270 55.273 54.000 0.005 0.000 0.871 78 D CB -0.264 40.539 40.800 0.005 0.000 0.925 78 D HN 0.682 nan 8.370 nan 0.000 0.485 79 E N 0.102 120.341 120.200 0.066 0.000 2.112 79 E HA -0.055 4.295 4.350 -0.000 0.000 0.190 79 E C 2.301 178.929 176.600 0.048 0.000 0.979 79 E CA 0.256 56.688 56.400 0.054 0.000 0.814 79 E CB 0.311 30.111 29.700 0.166 0.000 0.762 79 E HN 0.094 nan 8.360 nan 0.000 0.460 80 V N 1.603 121.637 119.914 0.200 0.000 2.427 80 V HA -0.220 3.900 4.120 -0.000 0.000 0.248 80 V C 2.251 178.355 176.094 0.018 0.000 1.051 80 V CA 1.322 63.773 62.300 0.252 0.000 1.048 80 V CB -0.388 31.627 31.823 0.319 0.000 0.666 80 V HN 0.249 nan 8.190 nan 0.000 0.456 81 L N 0.255 121.387 121.223 -0.151 0.000 2.275 81 L HA -0.016 4.324 4.340 -0.000 0.000 0.215 81 L C 2.220 178.894 176.870 -0.327 0.000 1.119 81 L CA 1.170 55.715 54.840 -0.491 0.000 0.790 81 L CB -0.478 41.396 42.059 -0.308 0.000 0.919 81 L HN 0.342 nan 8.230 nan 0.000 0.443 82 A N -0.186 122.557 122.820 -0.128 0.000 2.370 82 A HA 0.377 4.697 4.320 -0.000 0.000 0.238 82 A C 1.477 179.048 177.584 -0.022 0.000 1.289 82 A CA 0.416 52.414 52.037 -0.065 0.000 0.885 82 A CB -0.618 18.351 19.000 -0.052 0.000 0.961 82 A HN 0.415 nan 8.150 nan 0.000 0.499 83 G N -0.232 108.584 108.800 0.026 0.000 2.350 83 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.298 83 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.298 83 G C 0.393 175.295 174.900 0.002 0.000 1.037 83 G CA 0.685 45.835 45.100 0.084 0.000 1.074 83 G HN 0.641 nan 8.290 nan 0.000 0.511 84 Q N -1.603 118.136 119.800 -0.102 0.000 2.316 84 Q HA 0.156 4.496 4.340 -0.000 0.000 0.235 84 Q C 0.944 176.725 176.000 -0.365 0.000 0.863 84 Q CA 0.503 56.136 55.803 -0.285 0.000 0.939 84 Q CB 0.667 29.123 28.738 -0.470 0.000 1.108 84 Q HN 0.854 nan 8.270 nan 0.000 0.522 85 H N -0.112 119.051 119.070 0.155 0.000 2.549 85 H HA 0.140 4.696 4.556 -0.000 0.000 0.253 85 H C 0.100 175.612 175.328 0.307 0.000 1.170 85 H CA -0.370 55.784 56.048 0.176 0.000 0.943 85 H CB 0.679 30.542 29.762 0.168 0.000 1.849 85 H HN 0.093 nan 8.280 nan 0.000 0.603 86 D N 1.024 121.619 120.400 0.324 0.000 2.182 86 D HA -0.155 4.485 4.640 -0.000 0.000 0.201 86 D C 1.568 178.071 176.300 0.337 0.000 0.986 86 D CA 1.304 55.503 54.000 0.331 0.000 0.847 86 D CB 0.029 40.944 40.800 0.192 0.000 0.942 86 D HN 0.661 nan 8.370 nan 0.000 0.467 87 D N 0.278 120.829 120.400 0.251 0.000 2.340 87 D HA -0.076 4.564 4.640 -0.000 0.000 0.220 87 D C 0.920 177.373 176.300 0.254 0.000 1.039 87 D CA 0.214 54.348 54.000 0.223 0.000 0.866 87 D CB -0.086 40.810 40.800 0.159 0.000 0.913 87 D HN 0.062 nan 8.370 nan 0.000 0.523 88 E N -0.057 120.246 120.200 0.171 0.000 2.476 88 E HA 0.087 4.437 4.350 -0.000 0.000 0.191 88 E C -0.453 175.908 176.600 -0.397 0.000 1.064 88 E CA -0.054 56.318 56.400 -0.047 0.000 0.866 88 E CB -0.059 29.441 29.700 -0.334 0.000 0.952 88 E HN 0.373 nan 8.360 nan 0.000 0.492 89 F N 1.351 121.412 119.950 0.184 0.000 2.676 89 F HA 0.269 4.796 4.527 -0.000 0.000 0.371 89 F C -1.646 174.122 175.800 -0.052 0.000 1.141 89 F CA -1.653 56.367 58.000 0.032 0.000 1.133 89 F CB 1.805 40.832 39.000 0.046 0.000 1.376 89 F HN -0.163 nan 8.300 nan 0.000 0.491 90 P HA 0.142 nan 4.420 nan 0.000 0.267 90 P C -0.029 177.189 177.300 -0.137 0.000 1.289 90 P CA 0.331 63.346 63.100 -0.140 0.000 0.866 90 P CB 0.768 32.274 31.700 -0.324 0.000 1.309 91 L N 0.724 121.868 121.223 -0.131 0.000 2.453 91 L HA 0.306 4.646 4.340 -0.000 0.000 0.272 91 L C 1.098 177.910 176.870 -0.097 0.000 1.182 91 L CA -0.660 54.112 54.840 -0.113 0.000 0.858 91 L CB 0.312 42.301 42.059 -0.117 0.000 1.120 91 L HN -0.023 nan 8.230 nan 0.000 0.474 92 A N 3.697 126.464 122.820 -0.087 0.000 2.346 92 A HA 0.228 4.548 4.320 -0.000 0.000 0.252 92 A C 1.199 178.596 177.584 -0.311 0.000 1.089 92 A CA -0.428 51.529 52.037 -0.134 0.000 0.797 92 A CB 0.374 19.381 19.000 0.011 0.000 1.047 92 A HN 0.715 nan 8.150 nan 0.000 0.494 93 I N -1.080 119.127 120.570 -0.605 0.000 2.439 93 I HA -0.140 4.030 4.170 -0.000 0.000 0.251 93 I C 0.527 176.130 176.117 -0.857 0.000 1.139 93 I CA 0.758 61.535 61.300 -0.870 0.000 1.438 93 I CB -0.832 36.312 38.000 -1.427 0.000 1.085 93 I HN 0.720 nan 8.210 nan 0.000 0.427 94 W N 3.944 125.157 121.300 -0.146 0.000 1.836 94 W HA 0.273 4.933 4.660 -0.000 0.000 0.449 94 W C 1.020 177.402 176.519 -0.228 0.000 0.787 94 W CA -0.681 56.581 57.345 -0.138 0.000 1.729 94 W CB -0.557 28.866 29.460 -0.060 0.000 1.802 94 W HN 0.236 nan 8.180 nan 0.000 0.257 95 Q N -0.286 119.309 119.800 -0.342 0.000 3.317 95 Q HA 0.505 4.845 4.340 -0.000 0.000 0.322 95 Q C 0.264 175.828 176.000 -0.727 0.000 0.945 95 Q CA -0.988 54.259 55.803 -0.926 0.000 0.793 95 Q CB 0.227 28.464 28.738 -0.835 0.000 2.225 95 Q HN 0.037 nan 8.270 nan 0.000 0.392 96 T N -1.992 112.122 114.554 -0.735 0.000 2.919 96 T HA 0.300 4.650 4.350 -0.000 0.000 0.302 96 T C 1.158 175.649 174.700 -0.348 0.000 1.031 96 T CA -0.075 61.781 62.100 -0.406 0.000 1.127 96 T CB 0.894 69.585 68.868 -0.294 0.000 0.952 96 T HN 0.722 nan 8.240 nan 0.000 0.540 97 G N 1.145 109.787 108.800 -0.264 0.000 2.470 97 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.220 97 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.220 97 G C 1.648 176.431 174.900 -0.195 0.000 1.121 97 G CA 0.676 45.637 45.100 -0.232 0.000 0.766 97 G HN 0.979 nan 8.290 nan 0.000 0.553 98 S N -0.698 114.877 115.700 -0.208 0.000 2.527 98 S HA 0.338 4.808 4.470 -0.000 0.000 0.222 98 S C 1.856 176.207 174.600 -0.415 0.000 0.985 98 S CA 0.986 59.077 58.200 -0.181 0.000 0.921 98 S CB -0.094 63.042 63.200 -0.105 0.000 0.772 98 S HN 1.494 nan 8.310 nan 0.000 0.529 99 G N 0.686 109.097 108.800 -0.648 0.000 2.147 99 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.244 99 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.244 99 G C 0.637 175.184 174.900 -0.588 0.000 1.005 99 G CA 0.567 45.015 45.100 -1.088 0.000 0.713 99 G HN 0.487 nan 8.290 nan 0.000 0.515 100 T N 0.560 114.912 114.554 -0.338 0.000 2.684 100 T HA -0.177 4.173 4.350 -0.000 0.000 0.267 100 T C 2.497 177.109 174.700 -0.146 0.000 1.036 100 T CA 1.922 63.917 62.100 -0.176 0.000 1.148 100 T CB -0.173 68.628 68.868 -0.113 0.000 0.863 100 T HN 0.455 nan 8.240 nan 0.000 0.436 101 Q N 1.216 120.903 119.800 -0.189 0.000 2.045 101 Q HA -0.073 4.267 4.340 -0.000 0.000 0.206 101 Q C 2.696 178.633 176.000 -0.106 0.000 0.991 101 Q CA 1.538 57.259 55.803 -0.137 0.000 0.851 101 Q CB -1.029 27.590 28.738 -0.197 0.000 0.911 101 Q HN 0.456 nan 8.270 nan 0.000 0.418 102 S N 1.193 116.800 115.700 -0.154 0.000 2.382 102 S HA -0.125 4.345 4.470 -0.000 0.000 0.228 102 S C 1.714 176.341 174.600 0.044 0.000 1.027 102 S CA 1.091 59.265 58.200 -0.044 0.000 0.991 102 S CB -0.317 62.849 63.200 -0.056 0.000 0.823 102 S HN 0.478 nan 8.310 nan 0.000 0.469 103 N N 0.746 119.450 118.700 0.006 0.000 2.106 103 N HA -0.121 4.619 4.740 -0.000 0.000 0.188 103 N C 1.733 177.281 175.510 0.062 0.000 1.029 103 N CA 1.175 54.263 53.050 0.063 0.000 0.848 103 N CB -0.125 38.386 38.487 0.040 0.000 1.007 103 N HN 0.216 nan 8.380 nan 0.000 0.423 104 M N 1.396 121.013 119.600 0.028 0.000 2.159 104 M HA -0.120 4.360 4.480 -0.000 0.000 0.263 104 M C 1.901 178.236 176.300 0.057 0.000 1.063 104 M CA 1.063 56.385 55.300 0.036 0.000 1.110 104 M CB -1.838 30.771 32.600 0.015 0.000 1.374 104 M HN 0.263 nan 8.290 nan 0.000 0.411 105 N N 0.729 119.466 118.700 0.061 0.000 2.069 105 N HA -0.191 4.549 4.740 -0.000 0.000 0.191 105 N C 1.569 177.184 175.510 0.176 0.000 1.031 105 N CA 1.663 54.766 53.050 0.088 0.000 0.852 105 N CB -0.256 38.295 38.487 0.107 0.000 1.018 105 N HN 0.190 nan 8.380 nan 0.000 0.423 106 M N 0.690 120.448 119.600 0.263 0.000 2.175 106 M HA -0.006 4.474 4.480 -0.000 0.000 0.264 106 M C 1.466 177.874 176.300 0.179 0.000 1.063 106 M CA 1.531 57.031 55.300 0.334 0.000 1.119 106 M CB -0.723 32.027 32.600 0.250 0.000 1.377 106 M HN 0.227 nan 8.290 nan 0.000 0.415 107 N N -0.376 118.395 118.700 0.118 0.000 2.058 107 N HA -0.180 4.560 4.740 -0.000 0.000 0.191 107 N C 1.564 177.108 175.510 0.056 0.000 1.037 107 N CA 1.767 54.864 53.050 0.079 0.000 0.848 107 N CB -0.161 38.365 38.487 0.064 0.000 1.021 107 N HN 0.512 nan 8.380 nan 0.000 0.422 108 E N 0.403 120.635 120.200 0.054 0.000 2.051 108 E HA -0.147 4.203 4.350 -0.000 0.000 0.192 108 E C 2.081 178.683 176.600 0.003 0.000 0.991 108 E CA 1.019 57.440 56.400 0.035 0.000 0.799 108 E CB -0.031 29.707 29.700 0.064 0.000 0.748 108 E HN 0.145 nan 8.360 nan 0.000 0.449 109 V N 1.152 121.063 119.914 -0.005 0.000 2.407 109 V HA -0.221 3.899 4.120 -0.000 0.000 0.248 109 V C 2.214 178.254 176.094 -0.090 0.000 1.055 109 V CA 1.200 63.443 62.300 -0.094 0.000 1.049 109 V CB -0.289 31.403 31.823 -0.217 0.000 0.662 109 V HN 0.187 nan 8.190 nan 0.000 0.455 110 L N 0.100 121.319 121.223 -0.007 0.000 2.156 110 L HA 0.039 4.379 4.340 -0.000 0.000 0.208 110 L C 2.420 179.281 176.870 -0.014 0.000 1.095 110 L CA 2.008 56.851 54.840 0.005 0.000 0.770 110 L CB -0.870 41.224 42.059 0.060 0.000 0.914 110 L HN 0.260 nan 8.230 nan 0.000 0.439 111 A N -0.984 121.827 122.820 -0.015 0.000 1.898 111 A HA -0.130 4.190 4.320 -0.000 0.000 0.214 111 A C 2.111 179.658 177.584 -0.061 0.000 1.183 111 A CA 1.297 53.317 52.037 -0.028 0.000 0.622 111 A CB -0.512 18.475 19.000 -0.022 0.000 0.824 111 A HN 0.452 nan 8.150 nan 0.000 0.444 112 N N -0.264 118.391 118.700 -0.075 0.000 2.120 112 N HA -0.175 4.565 4.740 -0.000 0.000 0.188 112 N C 1.918 177.374 175.510 -0.091 0.000 1.024 112 N CA 1.627 54.621 53.050 -0.093 0.000 0.852 112 N CB -0.327 38.096 38.487 -0.106 0.000 1.003 112 N HN 0.457 nan 8.380 nan 0.000 0.424 113 R N 1.232 121.670 120.500 -0.103 0.000 2.075 113 R HA 0.096 4.436 4.340 -0.000 0.000 0.232 113 R C 1.949 178.222 176.300 -0.046 0.000 1.126 113 R CA 1.495 57.540 56.100 -0.092 0.000 0.963 113 R CB -0.793 29.416 30.300 -0.151 0.000 0.858 113 R HN 0.158 nan 8.270 nan 0.000 0.435 114 A N -0.621 122.177 122.820 -0.036 0.000 2.019 114 A HA -0.143 4.177 4.320 -0.000 0.000 0.219 114 A C 2.240 179.812 177.584 -0.021 0.000 1.164 114 A CA 1.846 53.873 52.037 -0.015 0.000 0.644 114 A CB -0.885 18.112 19.000 -0.005 0.000 0.805 114 A HN 0.468 nan 8.150 nan 0.000 0.449 115 S N -0.467 115.209 115.700 -0.039 0.000 2.355 115 S HA -0.181 4.289 4.470 -0.000 0.000 0.222 115 S C 1.896 176.476 174.600 -0.033 0.000 1.031 115 S CA 1.574 59.748 58.200 -0.044 0.000 0.993 115 S CB -0.351 62.806 63.200 -0.072 0.000 0.859 115 S HN 0.675 nan 8.310 nan 0.000 0.453 116 E N 0.777 120.955 120.200 -0.036 0.000 2.077 116 E HA -0.111 4.239 4.350 -0.000 0.000 0.193 116 E C 2.087 178.679 176.600 -0.013 0.000 0.989 116 E CA 1.363 57.748 56.400 -0.026 0.000 0.800 116 E CB -0.343 29.340 29.700 -0.028 0.000 0.746 116 E HN 0.504 nan 8.360 nan 0.000 0.452 117 L N 0.555 121.773 121.223 -0.007 0.000 2.265 117 L HA -0.138 4.202 4.340 -0.000 0.000 0.215 117 L C 1.822 178.692 176.870 0.000 0.000 1.117 117 L CA 0.626 55.467 54.840 0.002 0.000 0.782 117 L CB -0.203 41.861 42.059 0.009 0.000 0.914 117 L HN 0.145 nan 8.230 nan 0.000 0.441 118 L N -0.083 121.138 121.223 -0.004 0.000 2.783 118 L HA 0.227 4.567 4.340 -0.000 0.000 0.236 118 L C 1.427 178.294 176.870 -0.004 0.000 1.225 118 L CA 0.187 55.026 54.840 -0.002 0.000 1.026 118 L CB -0.150 41.909 42.059 -0.001 0.000 1.314 118 L HN 0.401 nan 8.230 nan 0.000 0.489 119 G N -0.450 108.347 108.800 -0.006 0.000 2.257 119 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.267 119 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.267 119 G C 0.729 175.622 174.900 -0.012 0.000 0.984 119 G CA 0.183 45.279 45.100 -0.007 0.000 0.626 119 G HN 0.544 nan 8.290 nan 0.000 0.540 120 G N -1.297 107.493 108.800 -0.016 0.000 2.489 120 G HA2 0.616 4.576 3.960 -0.000 0.000 0.271 120 G HA3 0.616 4.576 3.960 -0.000 0.000 0.271 120 G C -0.168 174.714 174.900 -0.030 0.000 1.427 120 G CA 0.489 45.575 45.100 -0.023 0.000 1.057 120 G HN 1.300 nan 8.290 nan 0.000 0.532 121 V N -0.985 118.905 119.914 -0.041 0.000 3.159 121 V HA 0.633 4.753 4.120 -0.000 0.000 0.308 121 V C -0.316 175.740 176.094 -0.063 0.000 1.190 121 V CA -1.104 61.167 62.300 -0.047 0.000 1.037 121 V CB 2.249 34.047 31.823 -0.041 0.000 1.060 121 V HN 1.072 nan 8.190 nan 0.000 0.437 122 R N 2.848 123.306 120.500 -0.070 0.000 2.539 122 R HA 0.783 5.123 4.340 -0.000 0.000 0.275 122 R C 0.255 176.506 176.300 -0.082 0.000 1.077 122 R CA 0.615 56.664 56.100 -0.086 0.000 1.097 122 R CB 0.793 31.032 30.300 -0.101 0.000 1.018 122 R HN 1.737 nan 8.270 nan 0.000 0.483 123 G N 1.331 110.079 108.800 -0.086 0.000 2.318 123 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.367 123 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.367 123 G C 0.221 175.078 174.900 -0.071 0.000 1.260 123 G CA -0.279 44.778 45.100 -0.071 0.000 1.055 123 G HN 0.434 nan 8.290 nan 0.000 0.484 124 M N 0.993 120.563 119.600 -0.050 0.000 2.374 124 M HA 0.059 4.539 4.480 -0.000 0.000 0.264 124 M C 2.073 178.345 176.300 -0.047 0.000 1.067 124 M CA 1.964 57.240 55.300 -0.039 0.000 1.103 124 M CB -1.259 31.334 32.600 -0.012 0.000 1.402 124 M HN 0.758 nan 8.290 nan 0.000 0.444 125 E N 1.493 121.664 120.200 -0.048 0.000 2.320 125 E HA 0.099 4.449 4.350 -0.000 0.000 0.189 125 E C -0.023 176.535 176.600 -0.071 0.000 1.100 125 E CA -0.355 56.021 56.400 -0.040 0.000 1.009 125 E CB -0.436 29.248 29.700 -0.025 0.000 1.145 125 E HN 0.478 nan 8.360 nan 0.000 0.454 126 R N 0.926 121.347 120.500 -0.132 0.000 2.590 126 R HA 0.142 4.482 4.340 -0.000 0.000 0.274 126 R C 0.506 176.682 176.300 -0.206 0.000 1.061 126 R CA -0.582 55.412 56.100 -0.176 0.000 1.081 126 R CB 0.791 30.953 30.300 -0.230 0.000 0.984 126 R HN -0.171 nan 8.270 nan 0.000 0.448 127 K N 1.743 122.073 120.400 -0.116 0.000 2.031 127 K HA 0.038 4.358 4.320 -0.000 0.000 0.205 127 K C 0.638 177.222 176.600 -0.026 0.000 1.049 127 K CA 0.790 57.052 56.287 -0.042 0.000 0.939 127 K CB 0.008 32.501 32.500 -0.013 0.000 0.717 127 K HN 0.434 nan 8.250 nan 0.000 0.438 128 V N 2.871 122.740 119.914 -0.075 0.000 2.509 128 V HA 0.105 4.225 4.120 -0.000 0.000 0.284 128 V C 0.070 176.081 176.094 -0.138 0.000 1.047 128 V CA -0.582 61.708 62.300 -0.016 0.000 0.952 128 V CB 1.275 33.095 31.823 -0.006 0.000 0.988 128 V HN 0.260 nan 8.190 nan 0.000 0.469 129 H N 6.166 125.238 119.070 0.003 0.000 2.457 129 H HA 0.273 4.829 4.556 -0.000 0.000 0.335 129 H C -1.653 173.680 175.328 0.009 0.000 1.115 129 H CA -1.751 54.300 56.048 0.005 0.000 1.219 129 H CB 2.403 32.167 29.762 0.004 0.000 1.471 129 H HN 0.412 nan 8.280 nan 0.000 0.491 130 P HA -0.171 nan 4.420 nan 0.000 0.213 130 P C 0.595 177.938 177.300 0.072 0.000 1.170 130 P CA 1.440 64.579 63.100 0.066 0.000 0.898 130 P CB 0.568 32.297 31.700 0.049 0.000 0.787 131 N N -0.577 118.168 118.700 0.076 0.000 2.207 131 N HA -0.087 4.653 4.740 -0.000 0.000 0.182 131 N C 1.683 177.219 175.510 0.042 0.000 1.020 131 N CA 1.083 54.164 53.050 0.052 0.000 0.858 131 N CB -0.380 38.132 38.487 0.041 0.000 0.991 131 N HN 0.134 nan 8.380 nan 0.000 0.427 132 D N 0.246 120.678 120.400 0.053 0.000 2.144 132 D HA -0.094 4.546 4.640 -0.000 0.000 0.200 132 D C 0.655 176.974 176.300 0.032 0.000 0.978 132 D CA 1.067 55.078 54.000 0.019 0.000 0.833 132 D CB 0.066 40.843 40.800 -0.039 0.000 0.961 132 D HN 0.351 nan 8.370 nan 0.000 0.470 133 D N -0.130 120.312 120.400 0.069 0.000 2.840 133 D HA -0.006 4.634 4.640 -0.000 0.000 0.277 133 D C 2.369 178.701 176.300 0.052 0.000 1.066 133 D CA 0.256 54.292 54.000 0.060 0.000 0.979 133 D CB 0.037 40.885 40.800 0.081 0.000 1.157 133 D HN -0.015 nan 8.370 nan 0.000 0.466 134 V N 1.382 121.330 119.914 0.057 0.000 2.515 134 V HA -0.141 3.979 4.120 -0.000 0.000 0.250 134 V C 1.460 177.586 176.094 0.053 0.000 1.058 134 V CA 1.328 63.660 62.300 0.053 0.000 1.064 134 V CB -0.547 31.308 31.823 0.053 0.000 0.675 134 V HN 0.071 nan 8.190 nan 0.000 0.461 135 N N 0.169 118.897 118.700 0.047 0.000 2.320 135 N HA 0.088 4.828 4.740 -0.000 0.000 0.237 135 N C 0.373 175.895 175.510 0.021 0.000 1.129 135 N CA -0.088 52.985 53.050 0.039 0.000 0.854 135 N CB -0.020 38.489 38.487 0.036 0.000 1.083 135 N HN 0.414 nan 8.380 nan 0.000 0.504 136 K N 0.103 120.514 120.400 0.019 0.000 2.326 136 K HA 0.076 4.396 4.320 -0.000 0.000 0.275 136 K C -0.064 176.502 176.600 -0.056 0.000 1.018 136 K CA 0.217 56.496 56.287 -0.012 0.000 0.962 136 K CB 0.343 32.842 32.500 -0.002 0.000 0.953 136 K HN 0.153 nan 8.250 nan 0.000 0.475 137 S N 1.421 117.045 115.700 -0.127 0.000 3.581 137 S HA -0.225 4.245 4.470 -0.000 0.000 0.354 137 S C -0.707 173.740 174.600 -0.254 0.000 1.059 137 S CA 1.445 59.472 58.200 -0.288 0.000 1.060 137 S CB -1.595 61.266 63.200 -0.565 0.000 0.908 137 S HN 0.811 nan 8.310 nan 0.000 0.475 138 Q N -1.583 118.161 119.800 -0.094 0.000 2.782 138 Q HA 0.754 5.094 4.340 -0.000 0.000 0.308 138 Q C -0.988 175.008 176.000 -0.006 0.000 0.883 138 Q CA -0.615 55.175 55.803 -0.022 0.000 0.755 138 Q CB 1.581 30.349 28.738 0.050 0.000 1.454 138 Q HN 0.619 nan 8.270 nan 0.000 0.452 139 S N -0.821 114.887 115.700 0.012 0.000 2.588 139 S HA 0.404 4.874 4.470 -0.000 0.000 0.269 139 S C 0.012 174.628 174.600 0.026 0.000 1.157 139 S CA -0.092 58.116 58.200 0.013 0.000 0.824 139 S CB 1.504 64.706 63.200 0.004 0.000 1.126 139 S HN 0.582 nan 8.310 nan 0.000 0.464 140 S N 1.640 117.352 115.700 0.019 0.000 2.400 140 S HA -0.134 4.336 4.470 -0.000 0.000 0.232 140 S C 1.590 176.214 174.600 0.040 0.000 1.025 140 S CA 1.721 59.934 58.200 0.022 0.000 0.993 140 S CB -0.736 62.446 63.200 -0.029 0.000 0.808 140 S HN 0.743 nan 8.310 nan 0.000 0.478 141 N N 2.041 120.756 118.700 0.024 0.000 2.166 141 N HA -0.109 4.631 4.740 -0.000 0.000 0.186 141 N C 1.288 176.815 175.510 0.028 0.000 1.019 141 N CA 1.567 54.634 53.050 0.028 0.000 0.856 141 N CB -0.327 38.173 38.487 0.021 0.000 0.993 141 N HN 0.678 nan 8.380 nan 0.000 0.426 142 D N -0.778 119.635 120.400 0.021 0.000 2.417 142 D HA 0.058 4.698 4.640 -0.000 0.000 0.207 142 D C 1.532 177.836 176.300 0.007 0.000 1.075 142 D CA 0.059 54.060 54.000 0.003 0.000 0.851 142 D CB -0.236 40.562 40.800 -0.003 0.000 0.976 142 D HN -0.002 nan 8.370 nan 0.000 0.505 143 V N 0.262 120.201 119.914 0.041 0.000 2.331 143 V HA -0.059 4.061 4.120 -0.000 0.000 0.242 143 V C 2.207 178.328 176.094 0.044 0.000 1.034 143 V CA 0.995 63.320 62.300 0.041 0.000 1.027 143 V CB -0.788 31.076 31.823 0.068 0.000 0.667 143 V HN 0.036 nan 8.190 nan 0.000 0.457 144 F N 1.668 121.580 119.950 -0.064 0.000 2.161 144 F HA -0.064 4.463 4.527 -0.000 0.000 0.300 144 F C -0.223 175.517 175.800 -0.100 0.000 1.089 144 F CA 1.659 59.614 58.000 -0.075 0.000 1.282 144 F CB -1.343 37.616 39.000 -0.069 0.000 1.010 144 F HN 0.252 nan 8.300 nan 0.000 0.485 145 P HA -0.092 nan 4.420 nan 0.000 0.219 145 P C 1.623 178.716 177.300 -0.345 0.000 1.150 145 P CA 2.015 64.978 63.100 -0.228 0.000 0.814 145 P CB -0.137 31.457 31.700 -0.176 0.000 0.787 146 T N -0.459 113.944 114.554 -0.251 0.000 2.737 146 T HA -0.106 4.244 4.350 -0.000 0.000 0.265 146 T C 1.924 176.474 174.700 -0.250 0.000 1.038 146 T CA 1.587 63.543 62.100 -0.241 0.000 1.144 146 T CB -0.980 67.781 68.868 -0.180 0.000 0.866 146 T HN 0.022 nan 8.240 nan 0.000 0.434 147 A N 1.137 123.797 122.820 -0.267 0.000 2.019 147 A HA -0.030 4.290 4.320 -0.000 0.000 0.219 147 A C 2.304 179.699 177.584 -0.314 0.000 1.164 147 A CA 1.355 53.223 52.037 -0.281 0.000 0.644 147 A CB -0.686 18.132 19.000 -0.303 0.000 0.805 147 A HN 0.456 nan 8.150 nan 0.000 0.449 148 M N -1.874 117.491 119.600 -0.391 0.000 2.099 148 M HA -0.105 4.375 4.480 -0.000 0.000 0.262 148 M C 2.185 178.435 176.300 -0.084 0.000 1.067 148 M CA 1.441 56.559 55.300 -0.303 0.000 1.124 148 M CB -0.407 31.998 32.600 -0.325 0.000 1.353 148 M HN 0.464 nan 8.290 nan 0.000 0.410 149 H N -0.465 118.470 119.070 -0.225 0.000 2.389 149 H HA -0.040 4.516 4.556 -0.000 0.000 0.299 149 H C 2.174 177.497 175.328 -0.007 0.000 1.081 149 H CA 1.305 57.278 56.048 -0.124 0.000 1.345 149 H CB -0.584 29.129 29.762 -0.081 0.000 1.393 149 H HN 0.100 nan 8.280 nan 0.000 0.520 150 V N 0.555 120.457 119.914 -0.020 0.000 2.343 150 V HA -0.238 3.882 4.120 -0.000 0.000 0.247 150 V C 2.557 178.730 176.094 0.132 0.000 1.051 150 V CA 1.708 63.987 62.300 -0.036 0.000 1.036 150 V CB -0.987 30.660 31.823 -0.294 0.000 0.654 150 V HN 0.530 nan 8.190 nan 0.000 0.451 151 A N -0.416 122.415 122.820 0.018 0.000 1.968 151 A HA 0.044 4.364 4.320 -0.000 0.000 0.217 151 A C 2.368 179.986 177.584 0.058 0.000 1.169 151 A CA 1.717 53.768 52.037 0.024 0.000 0.638 151 A CB -0.556 18.419 19.000 -0.042 0.000 0.812 151 A HN 0.531 nan 8.150 nan 0.000 0.446 152 A N -0.230 122.604 122.820 0.022 0.000 1.841 152 A HA 0.013 4.333 4.320 -0.000 0.000 0.214 152 A C 2.092 179.727 177.584 0.086 0.000 1.195 152 A CA 1.635 53.684 52.037 0.021 0.000 0.611 152 A CB -0.821 18.010 19.000 -0.283 0.000 0.835 152 A HN 0.607 nan 8.150 nan 0.000 0.443 153 L N 0.041 121.306 121.223 0.070 0.000 2.013 153 L HA -0.162 4.178 4.340 -0.000 0.000 0.212 153 L C 2.349 179.237 176.870 0.030 0.000 1.073 153 L CA 1.750 56.609 54.840 0.033 0.000 0.753 153 L CB -0.538 41.509 42.059 -0.019 0.000 0.890 153 L HN 0.431 nan 8.230 nan 0.000 0.432 154 L N -1.119 120.159 121.223 0.091 0.000 2.083 154 L HA -0.172 4.168 4.340 -0.000 0.000 0.209 154 L C 2.615 179.520 176.870 0.057 0.000 1.083 154 L CA 1.139 56.021 54.840 0.070 0.000 0.752 154 L CB -0.943 41.187 42.059 0.118 0.000 0.899 154 L HN 0.376 nan 8.230 nan 0.000 0.433 155 A N 0.090 122.956 122.820 0.077 0.000 1.930 155 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 155 A C 2.247 179.865 177.584 0.057 0.000 1.175 155 A CA 1.236 53.315 52.037 0.070 0.000 0.627 155 A CB -0.496 18.563 19.000 0.099 0.000 0.815 155 A HN 0.339 nan 8.150 nan 0.000 0.443 156 L N -1.302 119.963 121.223 0.071 0.000 2.044 156 L HA -0.135 4.205 4.340 -0.000 0.000 0.205 156 L C 2.901 179.777 176.870 0.011 0.000 1.075 156 L CA 1.383 56.250 54.840 0.045 0.000 0.747 156 L CB -0.472 41.629 42.059 0.070 0.000 0.903 156 L HN 0.322 nan 8.230 nan 0.000 0.435 157 R N 0.309 120.809 120.500 -0.001 0.000 2.066 157 R HA -0.133 4.207 4.340 -0.000 0.000 0.232 157 R C 2.251 178.543 176.300 -0.012 0.000 1.131 157 R CA 1.328 57.415 56.100 -0.021 0.000 0.955 157 R CB -0.164 30.108 30.300 -0.047 0.000 0.851 157 R HN 0.256 nan 8.270 nan 0.000 0.432 158 K N -0.183 120.218 120.400 0.001 0.000 2.305 158 K HA -0.057 4.263 4.320 -0.000 0.000 0.199 158 K C 1.808 178.414 176.600 0.009 0.000 1.047 158 K CA 1.020 57.311 56.287 0.007 0.000 0.976 158 K CB 0.308 32.819 32.500 0.019 0.000 0.765 158 K HN 0.158 nan 8.250 nan 0.000 0.474 159 Q N -0.686 119.120 119.800 0.010 0.000 2.644 159 Q HA 0.121 4.461 4.340 -0.000 0.000 0.220 159 Q C 1.720 177.720 176.000 -0.000 0.000 0.866 159 Q CA -0.108 55.699 55.803 0.007 0.000 0.915 159 Q CB -0.013 28.731 28.738 0.011 0.000 1.191 159 Q HN 0.014 nan 8.270 nan 0.000 0.641 160 L N 1.208 122.428 121.223 -0.005 0.000 1.988 160 L HA -0.133 4.207 4.340 -0.000 0.000 0.207 160 L C 1.938 178.798 176.870 -0.016 0.000 1.071 160 L CA 1.498 56.328 54.840 -0.017 0.000 0.744 160 L CB -0.386 41.656 42.059 -0.028 0.000 0.893 160 L HN 0.246 nan 8.230 nan 0.000 0.433 161 I N 0.121 120.681 120.570 -0.016 0.000 2.118 161 I HA -0.247 3.923 4.170 -0.000 0.000 0.241 161 I C 0.037 176.145 176.117 -0.016 0.000 1.070 161 I CA 1.928 63.215 61.300 -0.021 0.000 1.327 161 I CB -2.839 35.145 38.000 -0.027 0.000 1.034 161 I HN 0.256 nan 8.210 nan 0.000 0.405 162 P HA -0.160 nan 4.420 nan 0.000 0.215 162 P C 1.736 179.036 177.300 0.001 0.000 1.157 162 P CA 1.355 64.451 63.100 -0.006 0.000 0.868 162 P CB -0.114 31.584 31.700 -0.003 0.000 0.788 163 Q N -1.042 118.760 119.800 0.004 0.000 2.170 163 Q HA -0.129 4.211 4.340 -0.000 0.000 0.203 163 Q C 2.119 178.128 176.000 0.015 0.000 0.976 163 Q CA 1.021 56.832 55.803 0.013 0.000 0.858 163 Q CB -1.181 27.564 28.738 0.013 0.000 0.907 163 Q HN 0.255 nan 8.270 nan 0.000 0.433 164 L N 1.213 122.439 121.223 0.004 0.000 2.056 164 L HA -0.120 4.220 4.340 -0.000 0.000 0.207 164 L C 1.960 178.836 176.870 0.011 0.000 1.078 164 L CA 1.799 56.642 54.840 0.005 0.000 0.749 164 L CB -0.322 41.731 42.059 -0.010 0.000 0.901 164 L HN -0.016 nan 8.230 nan 0.000 0.433 165 K N -1.181 119.220 120.400 0.002 0.000 2.026 165 K HA -0.120 4.200 4.320 -0.000 0.000 0.208 165 K C 1.907 178.514 176.600 0.011 0.000 1.048 165 K CA 1.854 58.142 56.287 0.001 0.000 0.929 165 K CB -0.468 32.026 32.500 -0.010 0.000 0.713 165 K HN 0.358 nan 8.250 nan 0.000 0.439 166 T N 2.223 116.786 114.554 0.014 0.000 2.684 166 T HA -0.158 4.192 4.350 -0.000 0.000 0.267 166 T C 1.725 176.447 174.700 0.035 0.000 1.036 166 T CA 1.040 63.151 62.100 0.019 0.000 1.148 166 T CB -0.190 68.689 68.868 0.018 0.000 0.863 166 T HN 0.165 nan 8.240 nan 0.000 0.436 167 L N 0.517 121.771 121.223 0.052 0.000 2.141 167 L HA -0.129 4.211 4.340 -0.000 0.000 0.209 167 L C 2.567 179.490 176.870 0.088 0.000 1.094 167 L CA 1.259 56.151 54.840 0.086 0.000 0.763 167 L CB -0.607 41.515 42.059 0.105 0.000 0.908 167 L HN 0.351 nan 8.230 nan 0.000 0.437 168 T N -0.275 114.316 114.554 0.062 0.000 2.668 168 T HA -0.254 4.096 4.350 -0.000 0.000 0.262 168 T C 1.652 176.382 174.700 0.050 0.000 1.045 168 T CA 1.818 63.954 62.100 0.061 0.000 1.152 168 T CB -0.201 68.688 68.868 0.035 0.000 0.864 168 T HN 0.552 nan 8.240 nan 0.000 0.419 169 Q N 0.890 120.707 119.800 0.028 0.000 2.170 169 Q HA -0.095 4.245 4.340 -0.000 0.000 0.203 169 Q C 2.024 178.033 176.000 0.014 0.000 0.976 169 Q CA 1.850 57.661 55.803 0.013 0.000 0.858 169 Q CB -0.922 27.817 28.738 0.002 0.000 0.907 169 Q HN 0.311 nan 8.270 nan 0.000 0.433 170 T N 1.426 115.997 114.554 0.029 0.000 2.737 170 T HA -0.021 4.329 4.350 -0.000 0.000 0.265 170 T C 1.710 176.436 174.700 0.044 0.000 1.038 170 T CA 1.284 63.401 62.100 0.028 0.000 1.144 170 T CB -0.184 68.708 68.868 0.040 0.000 0.866 170 T HN 0.218 nan 8.240 nan 0.000 0.434 171 L N 1.332 122.612 121.223 0.096 0.000 2.217 171 L HA -0.015 4.325 4.340 -0.000 0.000 0.211 171 L C 2.645 179.559 176.870 0.073 0.000 1.107 171 L CA 0.800 55.729 54.840 0.148 0.000 0.783 171 L CB -0.570 41.646 42.059 0.262 0.000 0.919 171 L HN 0.380 nan 8.230 nan 0.000 0.442 172 N N 0.390 119.114 118.700 0.040 0.000 2.188 172 N HA -0.195 4.545 4.740 -0.000 0.000 0.184 172 N C 1.646 177.129 175.510 -0.046 0.000 1.018 172 N CA 1.068 54.120 53.050 0.002 0.000 0.858 172 N CB 0.208 38.697 38.487 0.004 0.000 0.989 172 N HN 0.426 nan 8.380 nan 0.000 0.426 173 E N 0.422 120.589 120.200 -0.056 0.000 2.051 173 E HA -0.135 4.215 4.350 -0.000 0.000 0.192 173 E C 1.910 178.387 176.600 -0.206 0.000 0.991 173 E CA 0.856 57.193 56.400 -0.105 0.000 0.799 173 E CB 0.143 29.791 29.700 -0.087 0.000 0.748 173 E HN 0.211 nan 8.360 nan 0.000 0.449 174 K N 0.523 120.796 120.400 -0.212 0.000 2.103 174 K HA -0.114 4.206 4.320 -0.000 0.000 0.207 174 K C 2.279 178.623 176.600 -0.426 0.000 1.048 174 K CA 0.772 56.804 56.287 -0.426 0.000 0.930 174 K CB -0.611 31.820 32.500 -0.114 0.000 0.716 174 K HN -0.006 nan 8.250 nan 0.000 0.444 175 S N 1.097 116.691 115.700 -0.177 0.000 2.353 175 S HA -0.186 4.284 4.470 -0.000 0.000 0.222 175 S C 2.117 176.643 174.600 -0.125 0.000 1.035 175 S CA 1.291 59.423 58.200 -0.113 0.000 1.025 175 S CB -0.059 63.101 63.200 -0.068 0.000 0.902 175 S HN 0.247 nan 8.310 nan 0.000 0.440 176 R N 1.178 121.597 120.500 -0.135 0.000 2.075 176 R HA 0.012 4.352 4.340 -0.000 0.000 0.232 176 R C 2.337 178.551 176.300 -0.142 0.000 1.126 176 R CA 1.650 57.685 56.100 -0.109 0.000 0.963 176 R CB -1.234 29.012 30.300 -0.090 0.000 0.858 176 R HN 0.459 nan 8.270 nan 0.000 0.435 177 A N 0.580 123.230 122.820 -0.284 0.000 1.883 177 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 177 A C 1.438 178.918 177.584 -0.175 0.000 1.186 177 A CA 1.404 53.230 52.037 -0.353 0.000 0.624 177 A CB -0.548 18.033 19.000 -0.698 0.000 0.822 177 A HN 0.360 nan 8.150 nan 0.000 0.444 178 F N -0.432 119.508 119.950 -0.016 0.000 2.645 178 F HA 0.472 4.999 4.527 -0.000 0.000 0.300 178 F C 2.098 177.881 175.800 -0.029 0.000 1.115 178 F CA -0.769 57.218 58.000 -0.021 0.000 1.355 178 F CB -1.123 37.862 39.000 -0.025 0.000 1.026 178 F HN 0.235 nan 8.300 nan 0.000 0.536 179 A N 0.185 123.059 122.820 0.091 0.000 1.986 179 A HA -0.246 4.074 4.320 -0.000 0.000 0.220 179 A C 1.757 179.368 177.584 0.044 0.000 1.171 179 A CA 2.436 54.499 52.037 0.042 0.000 0.640 179 A CB -0.684 18.320 19.000 0.006 0.000 0.811 179 A HN 0.355 nan 8.150 nan 0.000 0.451 180 D N -0.815 119.620 120.400 0.059 0.000 2.240 180 D HA 0.140 4.780 4.640 -0.000 0.000 0.206 180 D C 0.395 176.718 176.300 0.039 0.000 0.963 180 D CA 0.148 54.173 54.000 0.042 0.000 0.863 180 D CB -0.092 40.732 40.800 0.040 0.000 0.973 180 D HN 0.465 nan 8.370 nan 0.000 0.501 181 I N 2.344 122.947 120.570 0.055 0.000 2.752 181 I HA -0.022 4.148 4.170 -0.000 0.000 0.286 181 I C 0.202 176.326 176.117 0.012 0.000 1.180 181 I CA -0.272 61.043 61.300 0.025 0.000 1.404 181 I CB 0.032 38.034 38.000 0.003 0.000 1.389 181 I HN -0.136 nan 8.210 nan 0.000 0.549 182 V N 4.413 124.330 119.914 0.005 0.000 2.532 182 V HA 0.694 4.814 4.120 -0.000 0.000 0.295 182 V C -0.305 175.788 176.094 -0.002 0.000 1.041 182 V CA -0.702 61.599 62.300 0.002 0.000 0.926 182 V CB 1.515 33.342 31.823 0.006 0.000 0.992 182 V HN 0.858 nan 8.190 nan 0.000 0.457 183 K N 3.433 123.831 120.400 -0.003 0.000 2.480 183 K HA 0.759 5.079 4.320 -0.000 0.000 0.258 183 K C -0.964 175.639 176.600 0.004 0.000 0.990 183 K CA -1.093 55.193 56.287 -0.001 0.000 0.857 183 K CB 2.227 34.724 32.500 -0.006 0.000 1.384 183 K HN 0.606 nan 8.250 nan 0.000 0.446 184 I N 1.849 122.425 120.570 0.010 0.000 2.556 184 I HA 0.191 4.361 4.170 -0.000 0.000 0.284 184 I C 0.385 176.509 176.117 0.011 0.000 1.114 184 I CA 0.670 61.977 61.300 0.011 0.000 1.418 184 I CB 0.624 38.633 38.000 0.015 0.000 1.394 184 I HN 0.764 nan 8.210 nan 0.000 0.552 185 G N 7.103 115.908 108.800 0.008 0.000 2.599 185 G HA2 0.492 4.452 3.960 -0.000 0.000 0.264 185 G HA3 0.492 4.452 3.960 -0.000 0.000 0.264 185 G C -0.626 174.281 174.900 0.012 0.000 1.200 185 G CA -0.686 44.420 45.100 0.010 0.000 0.896 185 G HN 0.685 nan 8.290 nan 0.000 0.536 186 R N -0.305 120.206 120.500 0.018 0.000 2.512 186 R HA 0.429 4.769 4.340 -0.000 0.000 0.291 186 R C -1.074 175.247 176.300 0.034 0.000 1.097 186 R CA -0.550 55.560 56.100 0.017 0.000 0.940 186 R CB 2.071 32.376 30.300 0.008 0.000 1.198 186 R HN 0.765 nan 8.270 nan 0.000 0.429 187 T N -1.257 113.330 114.554 0.055 0.000 2.886 187 T HA 0.331 4.681 4.350 -0.000 0.000 0.292 187 T C 0.304 175.145 174.700 0.234 0.000 1.012 187 T CA -0.717 61.469 62.100 0.144 0.000 0.982 187 T CB 1.068 70.035 68.868 0.165 0.000 1.018 187 T HN 0.882 nan 8.240 nan 0.000 0.451 188 H N 1.244 120.290 119.070 -0.040 0.000 2.958 188 H HA -0.154 4.402 4.556 -0.000 0.000 0.274 188 H C 0.250 175.538 175.328 -0.066 0.000 1.184 188 H CA 0.269 56.289 56.048 -0.047 0.000 1.143 188 H CB -1.048 28.693 29.762 -0.034 0.000 1.297 188 H HN 0.689 nan 8.280 nan 0.000 0.356 189 L N -2.175 119.062 121.223 0.022 0.000 5.081 189 L HA -0.265 4.075 4.340 -0.000 0.000 0.423 189 L C 0.599 177.452 176.870 -0.029 0.000 1.019 189 L CA 1.673 56.480 54.840 -0.056 0.000 1.223 189 L CB -0.977 41.018 42.059 -0.108 0.000 1.940 189 L HN 0.392 nan 8.230 nan 0.000 0.675 190 Q N 0.085 119.887 119.800 0.004 0.000 2.215 190 Q HA 0.412 4.752 4.340 -0.000 0.000 0.256 190 Q C -0.085 175.905 176.000 -0.017 0.000 0.972 190 Q CA -0.716 55.079 55.803 -0.015 0.000 0.889 190 Q CB 0.912 29.630 28.738 -0.033 0.000 1.281 190 Q HN 0.064 nan 8.270 nan 0.000 0.456 191 D N 0.877 121.264 120.400 -0.022 0.000 2.450 191 D HA 0.330 4.970 4.640 -0.000 0.000 0.247 191 D C -0.330 175.956 176.300 -0.023 0.000 1.162 191 D CA 0.347 54.337 54.000 -0.016 0.000 0.879 191 D CB 0.736 41.526 40.800 -0.016 0.000 1.163 191 D HN 0.540 nan 8.370 nan 0.000 0.472 192 A N 1.775 124.587 122.820 -0.012 0.000 2.548 192 A HA 0.730 5.050 4.320 -0.000 0.000 0.262 192 A C 0.122 177.703 177.584 -0.006 0.000 1.271 192 A CA -0.612 51.416 52.037 -0.014 0.000 0.839 192 A CB 0.421 19.418 19.000 -0.006 0.000 1.381 192 A HN 0.487 nan 8.150 nan 0.000 0.468 193 T N 0.306 114.858 114.554 -0.004 0.000 2.926 193 T HA 0.473 4.823 4.350 -0.000 0.000 0.307 193 T C -2.112 172.589 174.700 0.003 0.000 1.059 193 T CA -0.896 61.204 62.100 0.001 0.000 1.122 193 T CB 0.334 69.203 68.868 0.002 0.000 0.972 193 T HN 0.482 nan 8.240 nan 0.000 0.545 194 P HA 0.422 nan 4.420 nan 0.000 0.273 194 P C -0.475 176.825 177.300 0.000 0.000 1.250 194 P CA -0.558 62.544 63.100 0.004 0.000 0.793 194 P CB 0.523 32.227 31.700 0.006 0.000 1.011 195 L N -2.805 118.416 121.223 -0.003 0.000 2.794 195 L HA 0.559 4.899 4.340 -0.000 0.000 0.261 195 L C -0.582 176.281 176.870 -0.012 0.000 0.989 195 L CA -0.966 53.869 54.840 -0.009 0.000 0.900 195 L CB 1.709 43.759 42.059 -0.014 0.000 1.473 195 L HN 0.410 nan 8.230 nan 0.000 0.414 196 T N -0.299 114.247 114.554 -0.014 0.000 2.907 196 T HA 0.202 4.552 4.350 -0.000 0.000 0.298 196 T C 1.118 175.804 174.700 -0.024 0.000 1.017 196 T CA -0.696 61.399 62.100 -0.009 0.000 1.118 196 T CB 1.271 70.140 68.868 0.001 0.000 0.948 196 T HN 0.756 nan 8.240 nan 0.000 0.531 197 L N 2.532 123.747 121.223 -0.013 0.000 2.187 197 L HA 0.023 4.363 4.340 -0.000 0.000 0.213 197 L C 2.242 179.100 176.870 -0.020 0.000 1.100 197 L CA 2.421 57.244 54.840 -0.028 0.000 0.765 197 L CB -1.578 40.465 42.059 -0.028 0.000 0.904 197 L HN 1.026 nan 8.230 nan 0.000 0.437 198 G N -1.113 107.703 108.800 0.026 0.000 2.421 198 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.217 198 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.217 198 G C 1.420 176.277 174.900 -0.073 0.000 1.143 198 G CA 0.253 45.358 45.100 0.008 0.000 0.784 198 G HN 0.465 nan 8.290 nan 0.000 0.541 199 Q N -0.247 119.510 119.800 -0.072 0.000 2.083 199 Q HA -0.036 4.304 4.340 -0.000 0.000 0.198 199 Q C 2.356 178.264 176.000 -0.154 0.000 0.969 199 Q CA 1.157 56.909 55.803 -0.085 0.000 0.838 199 Q CB -0.104 28.602 28.738 -0.053 0.000 0.900 199 Q HN 0.648 nan 8.270 nan 0.000 0.436 200 E N 0.885 120.962 120.200 -0.205 0.000 2.077 200 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 200 E C 1.787 177.956 176.600 -0.719 0.000 0.989 200 E CA 0.882 57.081 56.400 -0.336 0.000 0.800 200 E CB 0.003 29.535 29.700 -0.280 0.000 0.746 200 E HN 0.347 nan 8.360 nan 0.000 0.452 201 I N 1.014 121.152 120.570 -0.720 0.000 2.676 201 I HA -0.181 3.989 4.170 -0.000 0.000 0.259 201 I C 2.485 178.386 176.117 -0.360 0.000 1.194 201 I CA 0.922 61.697 61.300 -0.875 0.000 1.473 201 I CB -0.214 37.532 38.000 -0.423 0.000 1.096 201 I HN 0.176 nan 8.210 nan 0.000 0.443 202 S N 0.706 116.271 115.700 -0.224 0.000 2.453 202 S HA -0.052 4.418 4.470 -0.000 0.000 0.231 202 S C 2.058 176.638 174.600 -0.032 0.000 1.005 202 S CA 0.894 59.045 58.200 -0.081 0.000 0.949 202 S CB -0.656 62.508 63.200 -0.058 0.000 0.774 202 S HN 0.458 nan 8.310 nan 0.000 0.510 203 G N 0.599 109.342 108.800 -0.095 0.000 2.403 203 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.216 203 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.216 203 G C 1.143 176.156 174.900 0.189 0.000 1.154 203 G CA 0.633 45.746 45.100 0.022 0.000 0.784 203 G HN 0.545 nan 8.290 nan 0.000 0.538 204 W N 0.343 121.674 121.300 0.052 0.000 2.379 204 W HA 0.006 4.666 4.660 -0.000 0.000 0.307 204 W C 2.626 179.177 176.519 0.053 0.000 1.200 204 W CA 0.502 57.879 57.345 0.053 0.000 1.297 204 W CB -1.502 28.000 29.460 0.071 0.000 1.140 204 W HN 0.118 nan 8.180 nan 0.000 0.507 205 V N 1.408 121.486 119.914 0.274 0.000 2.407 205 V HA -0.204 3.916 4.120 -0.000 0.000 0.248 205 V C 2.205 178.383 176.094 0.140 0.000 1.055 205 V CA 2.634 65.036 62.300 0.170 0.000 1.049 205 V CB -0.846 31.042 31.823 0.108 0.000 0.662 205 V HN 0.036 nan 8.190 nan 0.000 0.455 206 A N -0.384 122.525 122.820 0.149 0.000 1.930 206 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 206 A C 2.199 179.952 177.584 0.281 0.000 1.175 206 A CA 2.168 54.318 52.037 0.188 0.000 0.627 206 A CB -0.504 18.599 19.000 0.172 0.000 0.815 206 A HN 0.590 nan 8.150 nan 0.000 0.443 207 M N -0.480 119.240 119.600 0.199 0.000 2.086 207 M HA -0.122 4.358 4.480 -0.000 0.000 0.261 207 M C 2.104 178.498 176.300 0.156 0.000 1.067 207 M CA 1.504 56.895 55.300 0.152 0.000 1.116 207 M CB -0.558 32.113 32.600 0.118 0.000 1.348 207 M HN 0.358 nan 8.290 nan 0.000 0.407 208 L N -0.300 120.999 121.223 0.127 0.000 2.046 208 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 208 L C 2.274 179.184 176.870 0.067 0.000 1.077 208 L CA 1.391 56.281 54.840 0.083 0.000 0.747 208 L CB -0.808 41.296 42.059 0.074 0.000 0.896 208 L HN 0.375 nan 8.230 nan 0.000 0.432 209 E N -0.994 119.248 120.200 0.070 0.000 2.153 209 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 209 E C 2.103 178.665 176.600 -0.064 0.000 0.988 209 E CA 0.771 57.166 56.400 -0.010 0.000 0.811 209 E CB -0.040 29.640 29.700 -0.033 0.000 0.746 209 E HN 0.579 nan 8.360 nan 0.000 0.466 210 H N 0.347 119.400 119.070 -0.029 0.000 2.372 210 H HA 0.029 4.585 4.556 -0.000 0.000 0.301 210 H C 1.927 177.221 175.328 -0.057 0.000 1.065 210 H CA 0.789 56.798 56.048 -0.065 0.000 1.364 210 H CB 0.176 29.947 29.762 0.016 0.000 1.406 210 H HN 0.148 nan 8.280 nan 0.000 0.521 211 N N 1.089 119.885 118.700 0.160 0.000 2.289 211 N HA -0.123 4.617 4.740 -0.000 0.000 0.184 211 N C 2.110 177.644 175.510 0.040 0.000 1.016 211 N CA 0.391 53.520 53.050 0.131 0.000 0.872 211 N CB -0.161 38.374 38.487 0.080 0.000 0.973 211 N HN 0.198 nan 8.380 nan 0.000 0.433 212 L N 2.380 123.589 121.223 -0.024 0.000 1.994 212 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 212 L C 2.289 179.067 176.870 -0.154 0.000 1.071 212 L CA 1.877 56.672 54.840 -0.075 0.000 0.745 212 L CB -0.583 41.426 42.059 -0.082 0.000 0.892 212 L HN 0.152 nan 8.230 nan 0.000 0.431 213 K N -2.553 117.693 120.400 -0.256 0.000 2.097 213 K HA -0.183 4.137 4.320 -0.000 0.000 0.205 213 K C 2.039 178.314 176.600 -0.542 0.000 1.050 213 K CA 1.652 57.637 56.287 -0.503 0.000 0.938 213 K CB -0.698 31.462 32.500 -0.568 0.000 0.718 213 K HN 0.343 nan 8.250 nan 0.000 0.442 214 H N 0.641 119.630 119.070 -0.134 0.000 2.423 214 H HA 0.062 4.618 4.556 -0.000 0.000 0.297 214 H C 2.005 177.353 175.328 0.032 0.000 1.075 214 H CA 1.319 57.401 56.048 0.056 0.000 1.342 214 H CB -0.026 29.794 29.762 0.097 0.000 1.395 214 H HN 0.242 nan 8.280 nan 0.000 0.530 215 I N 0.385 121.002 120.570 0.079 0.000 2.333 215 I HA -0.157 4.013 4.170 -0.000 0.000 0.246 215 I C 2.114 178.240 176.117 0.016 0.000 1.106 215 I CA 0.903 62.229 61.300 0.043 0.000 1.411 215 I CB -0.097 37.904 38.000 0.002 0.000 1.082 215 I HN 0.163 nan 8.210 nan 0.000 0.420 216 E N 0.056 120.209 120.200 -0.079 0.000 2.204 216 E HA -0.211 4.139 4.350 -0.000 0.000 0.194 216 E C 1.923 178.511 176.600 -0.020 0.000 0.989 216 E CA 1.042 57.382 56.400 -0.101 0.000 0.824 216 E CB -0.019 29.559 29.700 -0.202 0.000 0.756 216 E HN 0.465 nan 8.360 nan 0.000 0.477 217 Y N 0.538 120.867 120.300 0.048 0.000 2.373 217 Y HA -0.121 4.429 4.550 0.000 0.000 0.293 217 Y C 2.652 178.593 175.900 0.068 0.000 1.129 217 Y CA 1.059 59.195 58.100 0.059 0.000 1.226 217 Y CB -0.361 38.157 38.460 0.096 0.000 1.000 217 Y HN 0.052 nan 8.280 nan 0.000 0.549 218 S N -1.064 114.766 115.700 0.218 0.000 2.527 218 S HA -0.010 4.460 4.470 -0.000 0.000 0.222 218 S C 1.826 176.495 174.600 0.115 0.000 0.985 218 S CA 0.175 58.473 58.200 0.163 0.000 0.921 218 S CB -0.691 62.594 63.200 0.142 0.000 0.772 218 S HN 0.398 nan 8.310 nan 0.000 0.529 219 L N 1.295 122.569 121.223 0.084 0.000 2.017 219 L HA 0.009 4.349 4.340 -0.000 0.000 0.208 219 L C -0.570 176.324 176.870 0.040 0.000 1.073 219 L CA 1.283 56.143 54.840 0.034 0.000 0.745 219 L CB -1.969 40.090 42.059 0.000 0.000 0.894 219 L HN 0.241 nan 8.230 nan 0.000 0.432 220 P HA -0.216 nan 4.420 nan 0.000 0.216 220 P C 1.427 178.800 177.300 0.120 0.000 1.150 220 P CA 1.480 64.623 63.100 0.070 0.000 0.843 220 P CB -0.063 31.678 31.700 0.069 0.000 0.787 221 H N -0.459 118.623 119.070 0.021 0.000 2.363 221 H HA -0.018 4.538 4.556 -0.000 0.000 0.301 221 H C 1.573 176.888 175.328 -0.022 0.000 1.074 221 H CA 1.084 57.146 56.048 0.024 0.000 1.354 221 H CB -0.743 29.036 29.762 0.028 0.000 1.397 221 H HN -0.141 nan 8.280 nan 0.000 0.516 222 V N 0.896 120.791 119.914 -0.031 0.000 3.078 222 V HA -0.097 4.023 4.120 -0.000 0.000 0.265 222 V C 2.546 178.581 176.094 -0.099 0.000 1.122 222 V CA 1.153 63.227 62.300 -0.376 0.000 1.141 222 V CB -1.122 30.505 31.823 -0.327 0.000 0.735 222 V HN 0.527 nan 8.190 nan 0.000 0.498 223 A N -0.525 122.351 122.820 0.094 0.000 2.169 223 A HA 0.026 4.346 4.320 -0.000 0.000 0.212 223 A C 1.021 178.814 177.584 0.349 0.000 1.153 223 A CA 0.087 52.258 52.037 0.224 0.000 0.756 223 A CB -0.224 18.818 19.000 0.070 0.000 0.813 223 A HN 0.598 nan 8.150 nan 0.000 0.471 224 E N 0.539 120.927 120.200 0.313 0.000 2.299 224 E HA 0.349 4.699 4.350 -0.000 0.000 0.272 224 E C -0.943 175.806 176.600 0.249 0.000 1.043 224 E CA -0.096 56.466 56.400 0.271 0.000 0.895 224 E CB 0.662 30.522 29.700 0.265 0.000 1.011 224 E HN 0.397 nan 8.360 nan 0.000 0.432 225 L N 1.934 123.222 121.223 0.108 0.000 2.325 225 L HA 0.327 4.667 4.340 -0.000 0.000 0.279 225 L C 1.025 177.863 176.870 -0.054 0.000 1.054 225 L CA -0.394 54.433 54.840 -0.022 0.000 0.804 225 L CB 1.408 43.413 42.059 -0.091 0.000 1.200 225 L HN 0.643 nan 8.230 nan 0.000 0.436 226 A N 3.471 126.226 122.820 -0.109 0.000 2.081 226 A HA 0.209 4.529 4.320 -0.000 0.000 0.214 226 A C 0.929 178.478 177.584 -0.059 0.000 1.158 226 A CA -0.087 51.894 52.037 -0.093 0.000 0.724 226 A CB -0.074 18.852 19.000 -0.122 0.000 0.826 226 A HN 0.603 nan 8.150 nan 0.000 0.463 227 L N 0.346 121.539 121.223 -0.051 0.000 2.700 227 L HA 0.168 4.508 4.340 -0.000 0.000 0.276 227 L C 1.382 178.297 176.870 0.074 0.000 1.200 227 L CA 1.189 56.038 54.840 0.015 0.000 0.951 227 L CB 0.022 42.065 42.059 -0.026 0.000 1.226 227 L HN 0.564 nan 8.230 nan 0.000 0.489 228 G N 2.299 111.202 108.800 0.172 0.000 2.318 228 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.172 228 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.172 228 G C 0.696 175.630 174.900 0.058 0.000 1.002 228 G CA -0.097 45.134 45.100 0.218 0.000 0.697 228 G HN 0.812 nan 8.290 nan 0.000 0.483 229 G N -0.061 108.731 108.800 -0.012 0.000 2.709 229 G HA2 0.497 4.457 3.960 -0.000 0.000 0.208 229 G HA3 0.497 4.457 3.960 -0.000 0.000 0.208 229 G C 1.230 176.090 174.900 -0.065 0.000 1.129 229 G CA 2.208 47.251 45.100 -0.094 0.000 0.793 229 G HN 2.091 nan 8.290 nan 0.000 0.524 230 T N -1.374 113.162 114.554 -0.030 0.000 2.274 230 T HA -0.313 4.037 4.350 -0.000 0.000 0.767 230 T C 1.921 176.614 174.700 -0.012 0.000 1.005 230 T CA 1.924 64.012 62.100 -0.020 0.000 4.044 230 T CB -1.407 67.443 68.868 -0.030 0.000 2.315 230 T HN 1.537 nan 8.240 nan 0.000 0.394 231 A N 0.983 123.802 122.820 -0.001 0.000 1.909 231 A HA -0.032 4.288 4.320 -0.000 0.000 0.221 231 A C 2.728 180.332 177.584 0.034 0.000 1.223 231 A CA 4.682 56.728 52.037 0.015 0.000 0.658 231 A CB -1.371 17.639 19.000 0.017 0.000 0.831 231 A HN 2.232 nan 8.150 nan 0.000 0.462 232 V N -5.843 114.098 119.914 0.045 0.000 3.432 232 V HA 0.632 4.752 4.120 -0.000 0.000 0.298 232 V C 1.232 177.381 176.094 0.093 0.000 1.464 232 V CA 0.689 63.048 62.300 0.099 0.000 1.046 232 V CB -0.443 31.463 31.823 0.138 0.000 0.887 232 V HN 1.857 nan 8.190 nan 0.000 0.441 233 G N 1.433 110.194 108.800 -0.066 0.000 2.176 233 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.232 233 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.232 233 G C 0.896 175.504 174.900 -0.488 0.000 0.986 233 G CA 0.998 45.868 45.100 -0.383 0.000 0.643 233 G HN 1.019 nan 8.290 nan 0.000 0.522 234 T N -1.528 112.986 114.554 -0.066 0.000 3.055 234 T HA 0.386 4.736 4.350 -0.000 0.000 0.265 234 T C 2.399 177.098 174.700 -0.002 0.000 1.111 234 T CA 1.634 63.776 62.100 0.071 0.000 1.118 234 T CB 0.051 69.016 68.868 0.162 0.000 0.909 234 T HN 2.224 nan 8.240 nan 0.000 0.501 235 G N 1.019 109.795 108.800 -0.040 0.000 2.149 235 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.235 235 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.235 235 G C -0.161 174.728 174.900 -0.018 0.000 1.018 235 G CA 0.020 45.104 45.100 -0.026 0.000 0.728 235 G HN 0.756 nan 8.290 nan 0.000 0.508 236 L N 0.349 121.565 121.223 -0.011 0.000 2.456 236 L HA 0.520 4.860 4.340 -0.000 0.000 0.272 236 L C 0.927 177.775 176.870 -0.037 0.000 1.189 236 L CA 0.867 55.700 54.840 -0.013 0.000 0.846 236 L CB 0.124 42.184 42.059 0.001 0.000 1.111 236 L HN 0.391 nan 8.230 nan 0.000 0.475 237 N N 1.148 119.825 118.700 -0.038 0.000 2.780 237 N HA -0.171 4.569 4.740 -0.000 0.000 0.248 237 N C -0.473 174.979 175.510 -0.096 0.000 1.102 237 N CA 1.081 54.098 53.050 -0.056 0.000 0.697 237 N CB -1.991 36.463 38.487 -0.055 0.000 1.028 237 N HN 0.986 nan 8.380 nan 0.000 0.554 238 T N -4.570 109.934 114.554 -0.083 0.000 2.864 238 T HA 0.496 4.846 4.350 -0.000 0.000 0.299 238 T C -0.532 174.168 174.700 -0.001 0.000 1.166 238 T CA -0.823 61.207 62.100 -0.117 0.000 1.007 238 T CB 2.677 71.446 68.868 -0.166 0.000 1.219 238 T HN 0.226 nan 8.240 nan 0.000 0.506 239 H N 1.029 120.078 119.070 -0.034 0.000 2.525 239 H HA 0.413 4.969 4.556 0.000 0.000 0.339 239 H C -1.785 173.592 175.328 0.082 0.000 1.109 239 H CA -1.514 54.556 56.048 0.036 0.000 1.352 239 H CB 1.473 31.274 29.762 0.065 0.000 1.461 239 H HN 0.343 nan 8.280 nan 0.000 0.533 240 P HA -0.208 nan 4.420 nan 0.000 0.216 240 P C 0.454 177.810 177.300 0.094 0.000 1.154 240 P CA 1.745 64.797 63.100 -0.079 0.000 0.865 240 P CB 0.255 31.838 31.700 -0.195 0.000 0.789 241 E N -2.745 117.613 120.200 0.264 0.000 2.427 241 E HA -0.148 4.202 4.350 -0.000 0.000 0.196 241 E C 1.673 178.400 176.600 0.212 0.000 1.028 241 E CA 0.061 56.609 56.400 0.247 0.000 0.864 241 E CB -0.463 29.401 29.700 0.274 0.000 0.813 241 E HN 0.340 nan 8.360 nan 0.000 0.514 242 Y N 2.078 122.473 120.300 0.158 0.000 2.030 242 Y HA -0.354 4.196 4.550 -0.000 0.000 0.274 242 Y C 2.424 178.346 175.900 0.037 0.000 1.153 242 Y CA 1.990 60.137 58.100 0.078 0.000 1.115 242 Y CB -0.545 37.963 38.460 0.079 0.000 0.969 242 Y HN 0.025 nan 8.280 nan 0.000 0.488 243 A N 0.656 123.538 122.820 0.104 0.000 1.903 243 A HA -0.320 4.000 4.320 -0.000 0.000 0.219 243 A C 2.431 179.965 177.584 -0.084 0.000 1.191 243 A CA 2.392 54.424 52.037 -0.009 0.000 0.638 243 A CB -1.003 18.035 19.000 0.064 0.000 0.823 243 A HN 0.627 nan 8.150 nan 0.000 0.451 244 R N -0.721 119.758 120.500 -0.035 0.000 2.062 244 R HA -0.074 4.266 4.340 -0.000 0.000 0.229 244 R C 2.421 178.683 176.300 -0.064 0.000 1.128 244 R CA 1.283 57.365 56.100 -0.030 0.000 0.960 244 R CB -0.270 30.033 30.300 0.005 0.000 0.855 244 R HN 0.537 nan 8.270 nan 0.000 0.432 245 R N 0.344 120.792 120.500 -0.087 0.000 2.073 245 R HA -0.107 4.233 4.340 -0.000 0.000 0.234 245 R C 2.316 178.516 176.300 -0.167 0.000 1.134 245 R CA 1.835 57.873 56.100 -0.104 0.000 0.952 245 R CB -0.495 29.753 30.300 -0.087 0.000 0.850 245 R HN 0.277 nan 8.270 nan 0.000 0.433 246 V N -1.753 117.974 119.914 -0.312 0.000 2.720 246 V HA -0.080 4.040 4.120 -0.000 0.000 0.256 246 V C 2.138 178.120 176.094 -0.187 0.000 1.082 246 V CA 1.714 63.823 62.300 -0.319 0.000 1.101 246 V CB -0.793 30.710 31.823 -0.534 0.000 0.693 246 V HN 0.269 nan 8.190 nan 0.000 0.479 247 A N 0.393 123.131 122.820 -0.138 0.000 1.930 247 A HA -0.083 4.237 4.320 -0.000 0.000 0.215 247 A C 1.907 179.489 177.584 -0.004 0.000 1.176 247 A CA 1.505 53.506 52.037 -0.061 0.000 0.632 247 A CB -0.603 18.382 19.000 -0.026 0.000 0.819 247 A HN 0.506 nan 8.150 nan 0.000 0.445 248 D N -0.455 119.934 120.400 -0.017 0.000 2.097 248 D HA -0.113 4.527 4.640 -0.000 0.000 0.197 248 D C 1.921 178.225 176.300 0.007 0.000 0.984 248 D CA 1.555 55.559 54.000 0.006 0.000 0.826 248 D CB -0.252 40.544 40.800 -0.005 0.000 0.973 248 D HN 0.489 nan 8.370 nan 0.000 0.460 249 E N 0.310 120.496 120.200 -0.024 0.000 2.085 249 E HA -0.138 4.212 4.350 -0.000 0.000 0.194 249 E C 1.946 178.545 176.600 -0.001 0.000 0.994 249 E CA 0.546 56.933 56.400 -0.021 0.000 0.801 249 E CB -0.311 29.360 29.700 -0.049 0.000 0.743 249 E HN 0.067 nan 8.360 nan 0.000 0.453 250 L N 0.200 121.415 121.223 -0.014 0.000 2.046 250 L HA -0.064 4.276 4.340 -0.000 0.000 0.208 250 L C 2.285 179.255 176.870 0.166 0.000 1.077 250 L CA 1.997 56.840 54.840 0.004 0.000 0.747 250 L CB -1.581 40.396 42.059 -0.136 0.000 0.896 250 L HN 0.289 nan 8.230 nan 0.000 0.432 251 A N -1.244 121.686 122.820 0.183 0.000 1.969 251 A HA -0.118 4.202 4.320 -0.000 0.000 0.218 251 A C 2.378 180.023 177.584 0.100 0.000 1.169 251 A CA 1.579 53.730 52.037 0.189 0.000 0.635 251 A CB -0.545 18.530 19.000 0.124 0.000 0.810 251 A HN 0.249 nan 8.150 nan 0.000 0.445 252 V N 1.004 120.957 119.914 0.066 0.000 2.244 252 V HA -0.252 3.868 4.120 -0.000 0.000 0.244 252 V C 2.513 178.631 176.094 0.040 0.000 1.042 252 V CA 2.005 64.328 62.300 0.039 0.000 1.006 252 V CB -0.862 30.975 31.823 0.022 0.000 0.641 252 V HN 0.769 nan 8.190 nan 0.000 0.446 253 I N 0.138 120.734 120.570 0.043 0.000 2.676 253 I HA -0.110 4.060 4.170 -0.000 0.000 0.259 253 I C 2.118 178.268 176.117 0.055 0.000 1.194 253 I CA 1.907 63.229 61.300 0.037 0.000 1.473 253 I CB -0.744 37.270 38.000 0.023 0.000 1.096 253 I HN 0.488 nan 8.210 nan 0.000 0.443 254 T N -3.671 110.940 114.554 0.095 0.000 3.014 254 T HA 0.155 4.505 4.350 -0.000 0.000 0.250 254 T C 1.116 175.858 174.700 0.071 0.000 1.060 254 T CA 0.558 62.730 62.100 0.119 0.000 1.040 254 T CB -0.506 68.519 68.868 0.262 0.000 0.971 254 T HN 0.498 nan 8.240 nan 0.000 0.497 255 C N 1.393 120.723 119.300 0.051 0.000 4.417 255 C HA 0.066 4.526 4.460 -0.000 0.000 0.284 255 C C 1.069 176.032 174.990 -0.045 0.000 1.379 255 C CA -0.279 58.742 59.018 0.006 0.000 1.918 255 C CB -2.789 24.952 27.740 0.000 0.000 1.280 255 C HN 1.041 nan 8.230 nan 0.000 0.783 256 A N 0.673 123.443 122.820 -0.084 0.000 2.320 256 A HA 0.782 5.102 4.320 -0.000 0.000 0.334 256 A C -1.649 175.758 177.584 -0.295 0.000 1.147 256 A CA -1.274 50.584 52.037 -0.300 0.000 0.820 256 A CB 0.834 19.430 19.000 -0.674 0.000 1.218 256 A HN 0.258 nan 8.150 nan 0.000 0.482 257 P HA 0.143 nan 4.420 nan 0.000 0.225 257 P C -0.963 176.253 177.300 -0.140 0.000 1.768 257 P CA 0.087 63.090 63.100 -0.162 0.000 0.943 257 P CB -0.663 30.962 31.700 -0.125 0.000 1.936 258 F N 1.666 121.618 119.950 0.003 0.000 2.467 258 F HA 0.150 4.677 4.527 -0.000 0.000 0.362 258 F C 1.325 177.128 175.800 0.004 0.000 1.090 258 F CA -0.342 57.662 58.000 0.006 0.000 1.202 258 F CB 0.741 39.741 39.000 -0.000 0.000 1.113 258 F HN 0.013 nan 8.300 nan 0.000 0.541 259 V N 0.067 120.124 119.914 0.238 0.000 3.074 259 V HA 0.653 4.773 4.120 -0.000 0.000 0.314 259 V C -0.242 175.917 176.094 0.107 0.000 1.117 259 V CA -0.838 61.539 62.300 0.127 0.000 1.014 259 V CB 1.559 33.435 31.823 0.088 0.000 1.057 259 V HN 0.615 nan 8.190 nan 0.000 0.438 260 T N 1.989 116.577 114.554 0.057 0.000 2.856 260 T HA 0.624 4.974 4.350 -0.000 0.000 0.292 260 T C 0.385 175.110 174.700 0.043 0.000 0.980 260 T CA 0.409 62.528 62.100 0.031 0.000 1.091 260 T CB 0.609 69.479 68.868 0.003 0.000 0.936 260 T HN 1.661 nan 8.240 nan 0.000 0.503 261 A N 6.779 129.623 122.820 0.040 0.000 2.548 261 A HA 0.287 4.607 4.320 -0.000 0.000 0.247 261 A C -1.250 176.352 177.584 0.029 0.000 1.067 261 A CA -0.882 51.185 52.037 0.050 0.000 0.757 261 A CB -0.188 18.837 19.000 0.041 0.000 0.996 261 A HN 0.696 nan 8.150 nan 0.000 0.504 262 P HA -0.094 nan 4.420 nan 0.000 0.216 262 P C 0.314 177.638 177.300 0.040 0.000 1.150 262 P CA 1.223 64.342 63.100 0.033 0.000 0.837 262 P CB 0.217 31.934 31.700 0.029 0.000 0.786 263 N N -0.839 117.890 118.700 0.048 0.000 2.573 263 N HA 0.096 4.836 4.740 -0.000 0.000 0.262 263 N C 0.289 175.802 175.510 0.005 0.000 1.029 263 N CA -0.226 52.869 53.050 0.075 0.000 0.882 263 N CB 0.817 39.389 38.487 0.142 0.000 1.204 263 N HN -0.327 nan 8.380 nan 0.000 0.519 264 K N 1.790 122.091 120.400 -0.164 0.000 2.280 264 K HA 0.044 4.364 4.320 -0.000 0.000 0.202 264 K C 1.007 177.437 176.600 -0.283 0.000 1.047 264 K CA 1.234 57.361 56.287 -0.266 0.000 0.942 264 K CB -0.077 32.197 32.500 -0.376 0.000 0.739 264 K HN 0.446 nan 8.250 nan 0.000 0.457 265 F N 0.933 120.907 119.950 0.040 0.000 2.259 265 F HA -0.073 4.454 4.527 0.000 0.000 0.298 265 F C 2.324 178.153 175.800 0.049 0.000 1.088 265 F CA 0.950 58.977 58.000 0.044 0.000 1.358 265 F CB -0.268 38.758 39.000 0.043 0.000 1.040 265 F HN 0.111 nan 8.300 nan 0.000 0.505 266 E N 0.957 121.276 120.200 0.198 0.000 2.107 266 E HA -0.118 4.232 4.350 -0.000 0.000 0.191 266 E C 2.269 178.933 176.600 0.108 0.000 0.982 266 E CA 1.027 57.516 56.400 0.150 0.000 0.809 266 E CB -0.132 29.654 29.700 0.144 0.000 0.756 266 E HN 0.293 nan 8.360 nan 0.000 0.459 267 A N 0.818 123.676 122.820 0.063 0.000 1.898 267 A HA -0.110 4.210 4.320 -0.000 0.000 0.216 267 A C 2.198 179.771 177.584 -0.018 0.000 1.181 267 A CA 0.962 53.003 52.037 0.007 0.000 0.620 267 A CB -0.433 18.544 19.000 -0.039 0.000 0.819 267 A HN 0.273 nan 8.150 nan 0.000 0.442 268 L N -0.963 120.260 121.223 0.001 0.000 2.131 268 L HA 0.096 4.436 4.340 -0.000 0.000 0.206 268 L C 2.641 179.547 176.870 0.060 0.000 1.087 268 L CA 1.698 56.549 54.840 0.018 0.000 0.767 268 L CB -0.391 41.679 42.059 0.018 0.000 0.917 268 L HN 0.344 nan 8.230 nan 0.000 0.441 269 A N -2.029 120.844 122.820 0.088 0.000 2.251 269 A HA 0.235 4.555 4.320 -0.000 0.000 0.209 269 A C 0.989 178.618 177.584 0.075 0.000 1.187 269 A CA 0.846 52.941 52.037 0.095 0.000 0.823 269 A CB -0.668 18.404 19.000 0.120 0.000 0.846 269 A HN 0.414 nan 8.150 nan 0.000 0.486 270 T N -6.163 108.430 114.554 0.066 0.000 2.804 270 T HA 0.422 4.772 4.350 -0.000 0.000 0.290 270 T C -0.281 174.443 174.700 0.040 0.000 1.099 270 T CA -0.122 62.011 62.100 0.055 0.000 1.011 270 T CB 1.490 70.398 68.868 0.067 0.000 1.291 270 T HN 0.136 nan 8.240 nan 0.000 0.523 271 C N 0.826 120.145 119.300 0.032 0.000 3.359 271 C HA 0.360 4.820 4.460 -0.000 0.000 0.258 271 C C 1.521 176.507 174.990 -0.007 0.000 1.840 271 C CA -0.525 58.504 59.018 0.018 0.000 1.746 271 C CB -1.154 26.602 27.740 0.027 0.000 3.306 271 C HN 0.943 nan 8.230 nan 0.000 0.485 272 D N 2.410 122.812 120.400 0.003 0.000 2.172 272 D HA -0.167 4.473 4.640 -0.000 0.000 0.196 272 D C 2.141 178.351 176.300 -0.150 0.000 0.999 272 D CA 1.973 55.974 54.000 0.001 0.000 0.856 272 D CB -0.093 40.781 40.800 0.123 0.000 0.934 272 D HN 0.569 nan 8.370 nan 0.000 0.453 273 A N 0.260 122.808 122.820 -0.453 0.000 1.902 273 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 273 A C 2.319 179.723 177.584 -0.301 0.000 1.181 273 A CA 0.946 52.536 52.037 -0.745 0.000 0.623 273 A CB -0.604 17.897 19.000 -0.831 0.000 0.818 273 A HN 0.259 nan 8.150 nan 0.000 0.443 274 L N -0.655 120.450 121.223 -0.198 0.000 2.341 274 L HA -0.035 4.305 4.340 -0.000 0.000 0.214 274 L C 2.168 179.110 176.870 0.121 0.000 1.115 274 L CA 0.299 55.054 54.840 -0.141 0.000 0.820 274 L CB -0.202 41.688 42.059 -0.283 0.000 0.944 274 L HN 0.222 nan 8.230 nan 0.000 0.452 275 V N -0.842 119.112 119.914 0.066 0.000 2.591 275 V HA -0.144 3.976 4.120 -0.000 0.000 0.249 275 V C 2.419 178.589 176.094 0.126 0.000 1.053 275 V CA 1.153 63.516 62.300 0.106 0.000 1.068 275 V CB -0.239 31.616 31.823 0.054 0.000 0.689 275 V HN 0.410 nan 8.190 nan 0.000 0.462 276 Q N 0.013 119.868 119.800 0.090 0.000 2.096 276 Q HA 0.009 4.349 4.340 -0.000 0.000 0.197 276 Q C 2.441 178.515 176.000 0.125 0.000 0.964 276 Q CA 1.684 57.546 55.803 0.098 0.000 0.838 276 Q CB -0.444 28.356 28.738 0.104 0.000 0.906 276 Q HN 0.611 nan 8.270 nan 0.000 0.444 277 A N 0.071 122.986 122.820 0.158 0.000 1.898 277 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 277 A C 1.856 179.583 177.584 0.238 0.000 1.181 277 A CA 1.814 53.984 52.037 0.221 0.000 0.620 277 A CB -0.819 18.356 19.000 0.290 0.000 0.819 277 A HN 0.429 nan 8.150 nan 0.000 0.442 278 H N -0.440 118.780 119.070 0.249 0.000 2.521 278 H HA 0.053 4.609 4.556 -0.000 0.000 0.286 278 H C 2.014 177.347 175.328 0.008 0.000 1.034 278 H CA 1.171 57.255 56.048 0.060 0.000 1.278 278 H CB -0.240 29.588 29.762 0.110 0.000 1.386 278 H HN 0.390 nan 8.280 nan 0.000 0.567 279 G N -0.359 108.489 108.800 0.081 0.000 2.408 279 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.217 279 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.217 279 G C 1.818 176.681 174.900 -0.061 0.000 1.150 279 G CA 0.555 45.664 45.100 0.015 0.000 0.776 279 G HN 0.523 nan 8.290 nan 0.000 0.542 280 A N 0.399 123.192 122.820 -0.045 0.000 1.968 280 A HA 0.199 4.519 4.320 -0.000 0.000 0.217 280 A C 2.290 179.804 177.584 -0.117 0.000 1.169 280 A CA 0.887 52.894 52.037 -0.050 0.000 0.638 280 A CB -0.222 18.794 19.000 0.027 0.000 0.812 280 A HN 0.266 nan 8.150 nan 0.000 0.446 281 L N 0.484 121.568 121.223 -0.231 0.000 2.056 281 L HA -0.169 4.171 4.340 -0.000 0.000 0.207 281 L C 2.491 179.170 176.870 -0.319 0.000 1.078 281 L CA 2.550 57.184 54.840 -0.342 0.000 0.749 281 L CB -1.297 40.394 42.059 -0.613 0.000 0.901 281 L HN 0.678 nan 8.230 nan 0.000 0.433 282 K N -0.492 119.703 120.400 -0.342 0.000 2.211 282 K HA -0.037 4.283 4.320 -0.000 0.000 0.203 282 K C 1.919 178.442 176.600 -0.127 0.000 1.050 282 K CA 1.352 57.516 56.287 -0.204 0.000 0.945 282 K CB -1.064 31.359 32.500 -0.128 0.000 0.732 282 K HN 0.151 nan 8.250 nan 0.000 0.451 283 G N 1.003 109.732 108.800 -0.118 0.000 2.421 283 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.217 283 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.217 283 G C 1.383 176.244 174.900 -0.065 0.000 1.143 283 G CA 0.595 45.647 45.100 -0.081 0.000 0.784 283 G HN 0.277 nan 8.290 nan 0.000 0.541 284 L N 1.161 122.334 121.223 -0.083 0.000 2.131 284 L HA 0.348 4.688 4.340 -0.000 0.000 0.206 284 L C 2.929 179.741 176.870 -0.095 0.000 1.087 284 L CA 1.834 56.630 54.840 -0.073 0.000 0.767 284 L CB -0.587 41.422 42.059 -0.083 0.000 0.917 284 L HN 0.182 nan 8.230 nan 0.000 0.441 285 A N -0.328 122.422 122.820 -0.116 0.000 1.933 285 A HA -0.063 4.257 4.320 -0.000 0.000 0.218 285 A C 2.442 179.968 177.584 -0.097 0.000 1.175 285 A CA 1.635 53.604 52.037 -0.114 0.000 0.628 285 A CB -1.053 17.878 19.000 -0.114 0.000 0.814 285 A HN 0.553 nan 8.150 nan 0.000 0.444 286 A N -0.461 122.310 122.820 -0.081 0.000 1.877 286 A HA -0.059 4.261 4.320 -0.000 0.000 0.216 286 A C 2.463 180.007 177.584 -0.067 0.000 1.186 286 A CA 2.058 54.056 52.037 -0.065 0.000 0.620 286 A CB -0.908 18.060 19.000 -0.053 0.000 0.822 286 A HN 0.452 nan 8.150 nan 0.000 0.443 287 S N 0.066 115.728 115.700 -0.063 0.000 2.348 287 S HA -0.125 4.345 4.470 -0.000 0.000 0.221 287 S C 1.839 176.373 174.600 -0.110 0.000 1.033 287 S CA 1.553 59.719 58.200 -0.058 0.000 1.010 287 S CB -0.570 62.612 63.200 -0.029 0.000 0.891 287 S HN 0.485 nan 8.310 nan 0.000 0.442 288 L N 0.574 121.713 121.223 -0.140 0.000 2.127 288 L HA -0.163 4.177 4.340 -0.000 0.000 0.211 288 L C 2.530 179.252 176.870 -0.247 0.000 1.089 288 L CA 1.133 55.839 54.840 -0.224 0.000 0.757 288 L CB -0.439 41.488 42.059 -0.220 0.000 0.899 288 L HN 0.343 nan 8.230 nan 0.000 0.434 289 M N 0.015 119.515 119.600 -0.166 0.000 2.117 289 M HA -0.235 4.245 4.480 -0.000 0.000 0.262 289 M C 2.251 178.477 176.300 -0.124 0.000 1.065 289 M CA 1.838 57.058 55.300 -0.133 0.000 1.114 289 M CB -0.230 32.321 32.600 -0.082 0.000 1.361 289 M HN 0.007 nan 8.290 nan 0.000 0.408 290 K N 0.055 120.387 120.400 -0.115 0.000 2.031 290 K HA -0.085 4.235 4.320 -0.000 0.000 0.205 290 K C 1.867 178.351 176.600 -0.194 0.000 1.049 290 K CA 1.671 57.906 56.287 -0.087 0.000 0.939 290 K CB -0.321 32.157 32.500 -0.037 0.000 0.717 290 K HN 0.446 nan 8.250 nan 0.000 0.438 291 I N 1.426 121.788 120.570 -0.346 0.000 2.248 291 I HA -0.294 3.876 4.170 -0.000 0.000 0.248 291 I C 2.508 178.244 176.117 -0.634 0.000 1.107 291 I CA 1.349 62.211 61.300 -0.729 0.000 1.373 291 I CB -0.402 37.209 38.000 -0.649 0.000 1.055 291 I HN 0.269 nan 8.210 nan 0.000 0.418 292 A N 0.742 123.292 122.820 -0.449 0.000 1.897 292 A HA -0.160 4.160 4.320 -0.000 0.000 0.215 292 A C 2.114 179.619 177.584 -0.132 0.000 1.181 292 A CA 1.508 53.339 52.037 -0.342 0.000 0.620 292 A CB -0.532 18.250 19.000 -0.364 0.000 0.821 292 A HN 0.389 nan 8.150 nan 0.000 0.443 293 N N 0.446 119.103 118.700 -0.072 0.000 2.188 293 N HA -0.123 4.617 4.740 -0.000 0.000 0.184 293 N C 1.007 176.662 175.510 0.241 0.000 1.018 293 N CA 1.422 54.535 53.050 0.105 0.000 0.858 293 N CB -0.384 38.212 38.487 0.182 0.000 0.989 293 N HN 0.384 nan 8.380 nan 0.000 0.426 294 D N 0.514 120.992 120.400 0.131 0.000 2.144 294 D HA -0.080 4.560 4.640 -0.000 0.000 0.199 294 D C 2.044 178.499 176.300 0.257 0.000 0.984 294 D CA 0.472 54.623 54.000 0.251 0.000 0.834 294 D CB -0.078 40.920 40.800 0.330 0.000 0.955 294 D HN 0.025 nan 8.370 nan 0.000 0.465 295 V N 0.995 120.962 119.914 0.088 0.000 2.307 295 V HA -0.220 3.900 4.120 -0.000 0.000 0.245 295 V C 2.421 178.581 176.094 0.109 0.000 1.045 295 V CA 1.511 63.888 62.300 0.129 0.000 1.024 295 V CB -0.352 31.534 31.823 0.105 0.000 0.651 295 V HN 0.122 nan 8.190 nan 0.000 0.449 296 R N -0.983 119.539 120.500 0.036 0.000 2.094 296 R HA -0.227 4.113 4.340 -0.000 0.000 0.239 296 R C 2.171 178.395 176.300 -0.127 0.000 1.137 296 R CA 2.410 58.446 56.100 -0.107 0.000 0.943 296 R CB -0.535 29.602 30.300 -0.271 0.000 0.850 296 R HN 0.540 nan 8.270 nan 0.000 0.433 297 W N 1.003 122.332 121.300 0.049 0.000 2.378 297 W HA -0.051 4.609 4.660 -0.000 0.000 0.313 297 W C 2.126 178.682 176.519 0.063 0.000 1.197 297 W CA 0.558 57.934 57.345 0.052 0.000 1.304 297 W CB -0.447 29.045 29.460 0.053 0.000 1.148 297 W HN -0.013 nan 8.180 nan 0.000 0.494 298 L N -0.059 121.355 121.223 0.319 0.000 2.079 298 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 298 L C 2.393 179.352 176.870 0.148 0.000 1.081 298 L CA 1.369 56.343 54.840 0.224 0.000 0.752 298 L CB -1.037 41.167 42.059 0.241 0.000 0.896 298 L HN 0.037 nan 8.230 nan 0.000 0.433 299 A N -0.546 122.344 122.820 0.117 0.000 2.251 299 A HA 0.054 4.374 4.320 -0.000 0.000 0.209 299 A C 1.260 178.862 177.584 0.030 0.000 1.187 299 A CA 0.308 52.382 52.037 0.061 0.000 0.823 299 A CB -0.358 18.669 19.000 0.045 0.000 0.846 299 A HN 0.433 nan 8.150 nan 0.000 0.486 300 S N -0.983 114.738 115.700 0.034 0.000 2.568 300 S HA 0.542 5.012 4.470 -0.000 0.000 0.282 300 S C 0.638 175.254 174.600 0.027 0.000 1.338 300 S CA 0.345 58.542 58.200 -0.004 0.000 1.045 300 S CB 1.085 64.280 63.200 -0.008 0.000 0.873 300 S HN 1.653 nan 8.310 nan 0.000 0.516 301 G N 1.763 110.567 108.800 0.006 0.000 2.480 301 G HA2 0.194 4.154 3.960 -0.000 0.000 0.109 301 G HA3 0.194 4.154 3.960 -0.000 0.000 0.109 301 G C -2.286 172.616 174.900 0.004 0.000 1.172 301 G CA -0.089 45.021 45.100 0.017 0.000 1.091 301 G HN 0.645 nan 8.290 nan 0.000 0.464 302 P HA 0.223 nan 4.420 nan 0.000 0.240 302 P C 0.911 178.220 177.300 0.015 0.000 1.190 302 P CA 0.530 63.636 63.100 0.010 0.000 0.781 302 P CB 0.436 32.139 31.700 0.005 0.000 0.931 303 R N -0.940 119.570 120.500 0.016 0.000 2.310 303 R HA 0.195 4.535 4.340 -0.000 0.000 0.199 303 R C 1.083 177.399 176.300 0.026 0.000 0.891 303 R CA 0.472 56.584 56.100 0.019 0.000 1.060 303 R CB -0.500 29.808 30.300 0.013 0.000 1.188 303 R HN 0.140 nan 8.270 nan 0.000 0.607 304 C N 1.268 120.586 119.300 0.030 0.000 2.470 304 C HA 0.568 5.028 4.460 -0.000 0.000 0.311 304 C C 1.125 176.152 174.990 0.061 0.000 1.387 304 C CA -0.625 58.417 59.018 0.040 0.000 1.783 304 C CB -0.441 27.320 27.740 0.034 0.000 2.416 304 C HN 0.492 nan 8.230 nan 0.000 0.558 305 G N 0.048 108.889 108.800 0.068 0.000 3.253 305 G HA2 0.516 4.476 3.960 -0.000 0.000 0.175 305 G HA3 0.516 4.476 3.960 -0.000 0.000 0.175 305 G C 0.461 175.425 174.900 0.106 0.000 1.098 305 G CA -0.201 44.963 45.100 0.106 0.000 0.790 305 G HN 0.110 nan 8.290 nan 0.000 0.648 306 I N 0.561 121.210 120.570 0.133 0.000 2.512 306 I HA 0.196 4.366 4.170 -0.000 0.000 0.247 306 I C 2.133 178.299 176.117 0.081 0.000 1.094 306 I CA 0.973 62.343 61.300 0.115 0.000 1.427 306 I CB -0.234 37.861 38.000 0.158 0.000 1.149 306 I HN 0.744 nan 8.210 nan 0.000 0.438 307 G N 1.844 110.692 108.800 0.080 0.000 2.283 307 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.280 307 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.280 307 G C 0.640 175.563 174.900 0.037 0.000 1.029 307 G CA 0.680 45.811 45.100 0.051 0.000 0.840 307 G HN 0.500 nan 8.290 nan 0.000 0.505 308 E N -0.860 119.370 120.200 0.049 0.000 2.152 308 E HA 0.067 4.417 4.350 -0.000 0.000 0.192 308 E C 1.751 178.349 176.600 -0.003 0.000 0.983 308 E CA 1.206 57.621 56.400 0.024 0.000 0.818 308 E CB 0.080 29.803 29.700 0.039 0.000 0.758 308 E HN 0.926 nan 8.360 nan 0.000 0.467 309 I N -3.721 116.861 120.570 0.020 0.000 3.206 309 I HA 0.539 4.709 4.170 -0.000 0.000 0.313 309 I C -0.502 175.620 176.117 0.008 0.000 1.103 309 I CA -1.092 60.206 61.300 -0.003 0.000 0.985 309 I CB 2.316 40.337 38.000 0.034 0.000 1.240 309 I HN -0.318 nan 8.210 nan 0.000 0.464 310 S N 3.056 118.756 115.700 -0.001 0.000 2.557 310 S HA 0.693 5.163 4.470 -0.000 0.000 0.291 310 S C -0.760 173.847 174.600 0.012 0.000 1.116 310 S CA -0.719 57.483 58.200 0.004 0.000 0.992 310 S CB 1.241 64.437 63.200 -0.006 0.000 1.028 310 S HN 0.673 nan 8.310 nan 0.000 0.484 311 I N 2.610 123.185 120.570 0.008 0.000 2.562 311 I HA 0.715 4.885 4.170 -0.000 0.000 0.301 311 I C -2.624 173.488 176.117 -0.009 0.000 1.003 311 I CA -2.696 58.602 61.300 -0.003 0.000 1.127 311 I CB 0.782 38.773 38.000 -0.015 0.000 1.304 311 I HN 0.407 nan 8.210 nan 0.000 0.446 312 P HA 0.111 nan 4.420 nan 0.000 0.265 312 P C -0.476 176.822 177.300 -0.003 0.000 1.193 312 P CA 0.134 63.229 63.100 -0.009 0.000 0.765 312 P CB 0.860 32.551 31.700 -0.015 0.000 0.823 313 E N 2.533 122.734 120.200 0.001 0.000 2.289 313 E HA 0.038 4.388 4.350 -0.000 0.000 0.278 313 E C 0.337 176.945 176.600 0.013 0.000 1.032 313 E CA -0.520 55.881 56.400 0.003 0.000 0.854 313 E CB 0.519 30.219 29.700 0.001 0.000 1.046 313 E HN 0.266 nan 8.360 nan 0.000 0.409 314 N N 2.579 121.287 118.700 0.014 0.000 2.418 314 N HA -0.073 4.667 4.740 -0.000 0.000 0.199 314 N C -0.216 175.300 175.510 0.009 0.000 1.044 314 N CA 0.496 53.560 53.050 0.023 0.000 0.943 314 N CB -0.068 38.427 38.487 0.014 0.000 1.154 314 N HN 0.580 nan 8.380 nan 0.000 0.467 315 Q N 2.359 122.157 119.800 -0.003 0.000 2.293 315 Q HA 0.235 4.575 4.340 -0.000 0.000 0.251 315 Q C -1.899 174.099 176.000 -0.003 0.000 0.930 315 Q CA -1.372 54.428 55.803 -0.005 0.000 0.893 315 Q CB 0.535 29.266 28.738 -0.012 0.000 1.215 315 Q HN 0.124 nan 8.270 nan 0.000 0.425 316 P HA -0.206 nan 4.420 nan 0.000 0.214 316 P C 0.679 177.977 177.300 -0.003 0.000 1.169 316 P CA 1.897 64.997 63.100 -0.001 0.000 0.908 316 P CB -0.178 31.521 31.700 -0.001 0.000 0.791 317 G N -0.535 108.262 108.800 -0.005 0.000 2.741 317 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.222 317 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.222 317 G C -0.212 174.686 174.900 -0.004 0.000 1.364 317 G CA -0.110 44.986 45.100 -0.006 0.000 0.866 317 G HN 0.527 nan 8.290 nan 0.000 0.555 318 S N -1.179 114.519 115.700 -0.005 0.000 2.593 318 S HA 0.499 4.969 4.470 -0.000 0.000 0.269 318 S C 1.740 176.339 174.600 -0.003 0.000 1.334 318 S CA 0.940 59.138 58.200 -0.004 0.000 1.015 318 S CB 1.280 64.478 63.200 -0.004 0.000 0.912 318 S HN 1.825 nan 8.310 nan 0.000 0.541 319 S N 2.670 118.369 115.700 -0.002 0.000 2.421 319 S HA 0.142 4.612 4.470 -0.000 0.000 0.224 319 S C 1.546 176.145 174.600 -0.001 0.000 1.035 319 S CA 0.298 58.497 58.200 -0.001 0.000 0.953 319 S CB -0.326 62.874 63.200 -0.001 0.000 0.810 319 S HN 0.752 nan 8.310 nan 0.000 0.497 320 I N 0.662 121.231 120.570 -0.001 0.000 3.564 320 I HA 0.276 4.446 4.170 -0.000 0.000 0.294 320 I C -0.267 175.849 176.117 -0.001 0.000 1.289 320 I CA 0.589 61.889 61.300 -0.001 0.000 1.325 320 I CB 0.058 38.057 38.000 -0.001 0.000 1.039 320 I HN 0.306 nan 8.210 nan 0.000 0.474 321 M N 0.584 120.182 119.600 -0.002 0.000 2.720 321 M HA 0.272 4.752 4.480 -0.000 0.000 0.250 321 M C -1.998 174.300 176.300 -0.003 0.000 1.280 321 M CA -1.116 54.182 55.300 -0.003 0.000 0.579 321 M CB 0.964 33.561 32.600 -0.004 0.000 1.469 321 M HN -0.181 nan 8.290 nan 0.000 0.416 322 P HA -0.035 nan 4.420 nan 0.000 0.222 322 P C 1.500 178.798 177.300 -0.003 0.000 1.147 322 P CA 1.018 64.117 63.100 -0.002 0.000 0.790 322 P CB 0.256 31.955 31.700 -0.001 0.000 0.780 323 G N -0.246 108.553 108.800 -0.003 0.000 2.421 323 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.217 323 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.217 323 G C 0.713 175.610 174.900 -0.005 0.000 1.143 323 G CA -0.050 45.048 45.100 -0.003 0.000 0.784 323 G HN 0.242 nan 8.290 nan 0.000 0.541 324 K N 0.974 121.369 120.400 -0.007 0.000 2.361 324 K HA 0.284 4.604 4.320 -0.000 0.000 0.283 324 K C -1.061 175.531 176.600 -0.014 0.000 1.078 324 K CA -0.136 56.144 56.287 -0.012 0.000 1.041 324 K CB 0.319 32.812 32.500 -0.013 0.000 0.932 324 K HN -0.044 nan 8.250 nan 0.000 0.462 325 V N 5.768 125.671 119.914 -0.017 0.000 2.357 325 V HA 0.120 4.240 4.120 -0.000 0.000 0.281 325 V C -0.555 175.522 176.094 -0.028 0.000 1.015 325 V CA -1.214 61.075 62.300 -0.018 0.000 0.827 325 V CB 1.089 32.904 31.823 -0.013 0.000 1.018 325 V HN 0.743 nan 8.190 nan 0.000 0.432 326 N N 5.905 124.586 118.700 -0.031 0.000 2.513 326 N HA 0.234 4.974 4.740 -0.000 0.000 0.268 326 N C -2.251 173.236 175.510 -0.039 0.000 1.180 326 N CA -1.499 51.526 53.050 -0.042 0.000 0.948 326 N CB 1.150 39.614 38.487 -0.039 0.000 1.083 326 N HN 0.328 nan 8.380 nan 0.000 0.455 327 P HA 0.042 nan 4.420 nan 0.000 0.249 327 P C 0.965 178.255 177.300 -0.015 0.000 1.686 327 P CA 0.043 63.123 63.100 -0.034 0.000 0.873 327 P CB -0.498 31.165 31.700 -0.060 0.000 1.828 328 T N -2.864 111.680 114.554 -0.017 0.000 2.680 328 T HA -0.337 4.013 4.350 -0.000 0.000 0.268 328 T C 1.821 176.528 174.700 0.012 0.000 1.033 328 T CA 1.467 63.560 62.100 -0.012 0.000 1.152 328 T CB -0.698 68.158 68.868 -0.020 0.000 0.859 328 T HN 0.076 nan 8.240 nan 0.000 0.452 329 Q N 0.186 120.007 119.800 0.035 0.000 2.167 329 Q HA 0.044 4.384 4.340 -0.000 0.000 0.202 329 Q C 2.410 178.531 176.000 0.202 0.000 0.970 329 Q CA 1.549 57.412 55.803 0.099 0.000 0.855 329 Q CB -0.898 27.881 28.738 0.068 0.000 0.911 329 Q HN 0.780 nan 8.270 nan 0.000 0.438 330 C N 0.059 119.464 119.300 0.175 0.000 2.475 330 C HA -0.011 4.449 4.460 -0.000 0.000 0.279 330 C C 2.160 177.159 174.990 0.015 0.000 1.322 330 C CA 0.396 59.494 59.018 0.132 0.000 1.734 330 C CB -0.657 27.143 27.740 0.099 0.000 2.005 330 C HN 0.570 nan 8.230 nan 0.000 0.495 331 E N 1.609 121.809 120.200 0.001 0.000 2.077 331 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 331 E C 2.338 178.927 176.600 -0.018 0.000 0.989 331 E CA 1.447 57.833 56.400 -0.024 0.000 0.800 331 E CB -0.268 29.414 29.700 -0.030 0.000 0.746 331 E HN 0.679 nan 8.360 nan 0.000 0.452 332 A N 1.146 123.964 122.820 -0.003 0.000 1.968 332 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 332 A C 2.142 179.716 177.584 -0.016 0.000 1.169 332 A CA 0.758 52.791 52.037 -0.006 0.000 0.638 332 A CB -0.344 18.657 19.000 0.003 0.000 0.812 332 A HN 0.186 nan 8.150 nan 0.000 0.446 333 L N 0.420 121.633 121.223 -0.018 0.000 2.109 333 L HA -0.090 4.250 4.340 -0.000 0.000 0.207 333 L C 2.720 179.528 176.870 -0.103 0.000 1.086 333 L CA 2.727 57.520 54.840 -0.077 0.000 0.760 333 L CB -0.746 41.215 42.059 -0.162 0.000 0.910 333 L HN 0.555 nan 8.230 nan 0.000 0.437 334 T N -3.894 110.607 114.554 -0.087 0.000 2.904 334 T HA -0.158 4.192 4.350 -0.000 0.000 0.267 334 T C 1.910 176.579 174.700 -0.053 0.000 1.059 334 T CA 1.324 63.378 62.100 -0.078 0.000 1.137 334 T CB -0.427 68.405 68.868 -0.061 0.000 0.879 334 T HN 0.286 nan 8.240 nan 0.000 0.467 335 M N 1.316 120.892 119.600 -0.040 0.000 2.086 335 M HA 0.043 4.523 4.480 -0.000 0.000 0.261 335 M C 2.262 178.545 176.300 -0.028 0.000 1.067 335 M CA 1.626 56.910 55.300 -0.027 0.000 1.116 335 M CB -0.701 31.887 32.600 -0.020 0.000 1.348 335 M HN 0.378 nan 8.290 nan 0.000 0.407 336 L N -2.237 118.964 121.223 -0.036 0.000 2.275 336 L HA -0.031 4.309 4.340 -0.000 0.000 0.215 336 L C 2.104 178.945 176.870 -0.049 0.000 1.119 336 L CA 1.318 56.135 54.840 -0.038 0.000 0.790 336 L CB -1.576 40.458 42.059 -0.041 0.000 0.919 336 L HN 0.202 nan 8.230 nan 0.000 0.443 337 C N -0.950 118.313 119.300 -0.061 0.000 2.467 337 C HA -0.009 4.451 4.460 -0.000 0.000 0.279 337 C C 2.881 177.843 174.990 -0.046 0.000 1.347 337 C CA 0.547 59.523 59.018 -0.069 0.000 1.748 337 C CB -1.191 26.497 27.740 -0.088 0.000 1.977 337 C HN 0.800 nan 8.230 nan 0.000 0.501 338 C N -0.470 118.810 119.300 -0.032 0.000 2.457 338 C HA -0.086 4.374 4.460 -0.000 0.000 0.278 338 C C 2.745 177.731 174.990 -0.007 0.000 1.309 338 C CA 1.031 60.039 59.018 -0.017 0.000 1.735 338 C CB -1.282 26.452 27.740 -0.011 0.000 1.992 338 C HN 0.625 nan 8.230 nan 0.000 0.493 339 Q N 1.161 120.956 119.800 -0.009 0.000 2.084 339 Q HA -0.130 4.210 4.340 -0.000 0.000 0.202 339 Q C 2.056 178.064 176.000 0.014 0.000 0.978 339 Q CA 1.935 57.739 55.803 0.002 0.000 0.844 339 Q CB -0.418 28.317 28.738 -0.005 0.000 0.898 339 Q HN 0.482 nan 8.270 nan 0.000 0.426 340 V N 0.019 119.934 119.914 0.001 0.000 2.427 340 V HA -0.227 3.893 4.120 -0.000 0.000 0.248 340 V C 2.205 178.344 176.094 0.075 0.000 1.051 340 V CA 1.690 64.007 62.300 0.028 0.000 1.048 340 V CB -0.481 31.302 31.823 -0.067 0.000 0.666 340 V HN 0.368 nan 8.190 nan 0.000 0.456 341 M N 0.957 120.571 119.600 0.022 0.000 2.117 341 M HA -0.072 4.408 4.480 -0.000 0.000 0.262 341 M C 2.056 178.385 176.300 0.049 0.000 1.065 341 M CA 2.102 57.418 55.300 0.026 0.000 1.114 341 M CB -1.094 31.507 32.600 0.000 0.000 1.361 341 M HN 0.340 nan 8.290 nan 0.000 0.408 342 G N -1.056 107.768 108.800 0.039 0.000 2.421 342 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.217 342 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.217 342 G C 1.407 176.333 174.900 0.043 0.000 1.143 342 G CA 0.691 45.813 45.100 0.036 0.000 0.784 342 G HN 0.404 nan 8.290 nan 0.000 0.541 343 N N 0.698 119.431 118.700 0.056 0.000 2.309 343 N HA -0.056 4.684 4.740 -0.000 0.000 0.182 343 N C 1.706 177.185 175.510 -0.051 0.000 1.018 343 N CA 1.121 54.178 53.050 0.010 0.000 0.876 343 N CB -0.263 38.224 38.487 0.001 0.000 0.972 343 N HN 0.374 nan 8.380 nan 0.000 0.434 344 D N -0.077 120.380 120.400 0.095 0.000 2.117 344 D HA -0.076 4.564 4.640 -0.000 0.000 0.197 344 D C 1.771 178.090 176.300 0.032 0.000 0.987 344 D CA 0.655 54.721 54.000 0.110 0.000 0.829 344 D CB 0.207 41.153 40.800 0.242 0.000 0.961 344 D HN -0.069 nan 8.370 nan 0.000 0.460 345 V N 0.783 120.716 119.914 0.031 0.000 2.261 345 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 345 V C 2.584 178.682 176.094 0.006 0.000 1.047 345 V CA 1.819 64.129 62.300 0.017 0.000 1.015 345 V CB -1.058 30.776 31.823 0.018 0.000 0.642 345 V HN 0.334 nan 8.190 nan 0.000 0.446 346 A N -0.110 122.719 122.820 0.015 0.000 1.917 346 A HA -0.226 4.094 4.320 -0.000 0.000 0.219 346 A C 2.207 179.804 177.584 0.023 0.000 1.182 346 A CA 2.223 54.282 52.037 0.037 0.000 0.633 346 A CB -0.619 18.425 19.000 0.074 0.000 0.819 346 A HN 0.522 nan 8.150 nan 0.000 0.448 347 I N -0.225 120.332 120.570 -0.022 0.000 2.252 347 I HA -0.247 3.923 4.170 -0.000 0.000 0.245 347 I C 2.136 178.240 176.117 -0.022 0.000 1.102 347 I CA 1.209 62.491 61.300 -0.030 0.000 1.385 347 I CB -0.490 37.436 38.000 -0.124 0.000 1.064 347 I HN 0.318 nan 8.210 nan 0.000 0.414 348 N N 0.837 119.525 118.700 -0.019 0.000 2.084 348 N HA -0.194 4.546 4.740 -0.000 0.000 0.190 348 N C 1.863 177.332 175.510 -0.068 0.000 1.030 348 N CA 1.461 54.497 53.050 -0.024 0.000 0.849 348 N CB -0.387 38.096 38.487 -0.007 0.000 1.012 348 N HN 0.272 nan 8.380 nan 0.000 0.423 349 M N 0.151 119.707 119.600 -0.074 0.000 2.149 349 M HA -0.095 4.385 4.480 -0.000 0.000 0.261 349 M C 1.875 178.007 176.300 -0.279 0.000 1.064 349 M CA 1.753 56.975 55.300 -0.130 0.000 1.102 349 M CB -0.309 32.246 32.600 -0.076 0.000 1.369 349 M HN 0.256 nan 8.290 nan 0.000 0.408 350 G N -1.530 107.134 108.800 -0.227 0.000 2.408 350 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.215 350 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.215 350 G C 1.379 176.106 174.900 -0.287 0.000 1.156 350 G CA 0.638 45.517 45.100 -0.369 0.000 0.793 350 G HN 0.583 nan 8.290 nan 0.000 0.535 351 G N 0.437 109.160 108.800 -0.129 0.000 2.534 351 G HA2 0.218 4.178 3.960 -0.000 0.000 0.217 351 G HA3 0.218 4.178 3.960 -0.000 0.000 0.217 351 G C 1.513 176.358 174.900 -0.092 0.000 1.128 351 G CA 1.215 46.273 45.100 -0.069 0.000 0.784 351 G HN 0.616 nan 8.290 nan 0.000 0.542 352 A N -0.143 122.586 122.820 -0.152 0.000 2.303 352 A HA 0.449 4.769 4.320 -0.000 0.000 0.217 352 A C 1.883 179.358 177.584 -0.182 0.000 1.205 352 A CA 0.630 52.589 52.037 -0.130 0.000 0.875 352 A CB 0.335 19.271 19.000 -0.105 0.000 0.910 352 A HN 0.132 nan 8.150 nan 0.000 0.501 353 S N 0.839 116.341 115.700 -0.330 0.000 2.679 353 S HA 0.292 4.762 4.470 -0.000 0.000 0.233 353 S C 0.994 175.515 174.600 -0.131 0.000 0.951 353 S CA 0.134 58.113 58.200 -0.369 0.000 0.973 353 S CB -0.066 62.596 63.200 -0.896 0.000 0.778 353 S HN 0.649 nan 8.310 nan 0.000 0.477 354 G N 1.893 110.654 108.800 -0.064 0.000 2.569 354 G HA2 0.365 4.325 3.960 -0.000 0.000 0.249 354 G HA3 0.365 4.325 3.960 -0.000 0.000 0.249 354 G C -0.365 174.507 174.900 -0.047 0.000 1.216 354 G CA -0.426 44.691 45.100 0.029 0.000 0.845 354 G HN 0.299 nan 8.290 nan 0.000 0.568 355 N N 0.390 119.060 118.700 -0.050 0.000 2.310 355 N HA 0.406 5.146 4.740 -0.000 0.000 0.292 355 N C 0.054 175.472 175.510 -0.153 0.000 1.049 355 N CA -0.431 52.452 53.050 -0.278 0.000 0.849 355 N CB 1.936 40.259 38.487 -0.273 0.000 1.532 355 N HN 0.341 nan 8.380 nan 0.000 0.479 356 F N 0.860 120.844 119.950 0.057 0.000 2.636 356 F HA -0.380 4.147 4.527 -0.000 0.000 0.222 356 F C 1.768 177.611 175.800 0.071 0.000 1.471 356 F CA 1.407 59.439 58.000 0.053 0.000 1.965 356 F CB -0.913 38.114 39.000 0.046 0.000 0.463 356 F HN 0.472 nan 8.300 nan 0.000 0.244 357 E N 0.445 120.837 120.200 0.321 0.000 2.489 357 E HA 0.388 4.738 4.350 -0.000 0.000 0.193 357 E C -0.360 176.339 176.600 0.164 0.000 1.057 357 E CA 0.444 56.976 56.400 0.221 0.000 0.866 357 E CB 0.256 30.073 29.700 0.196 0.000 0.916 357 E HN 0.315 nan 8.360 nan 0.000 0.500 358 L N 0.206 121.518 121.223 0.148 0.000 2.545 358 L HA 0.369 4.709 4.340 -0.000 0.000 0.258 358 L C -1.741 175.195 176.870 0.110 0.000 0.942 358 L CA -0.597 54.310 54.840 0.111 0.000 0.855 358 L CB 1.918 44.033 42.059 0.092 0.000 1.374 358 L HN -0.204 nan 8.230 nan 0.000 0.411 359 N N 3.030 121.796 118.700 0.110 0.000 2.426 359 N HA 0.302 5.042 4.740 -0.000 0.000 0.257 359 N C -0.427 175.182 175.510 0.164 0.000 1.002 359 N CA -0.214 52.929 53.050 0.156 0.000 0.942 359 N CB 1.599 40.168 38.487 0.137 0.000 1.112 359 N HN 0.496 nan 8.380 nan 0.000 0.499 360 V N 2.031 122.055 119.914 0.182 0.000 2.838 360 V HA 0.471 4.591 4.120 -0.000 0.000 0.356 360 V C -0.365 175.622 176.094 -0.179 0.000 1.302 360 V CA -0.295 62.004 62.300 -0.002 0.000 1.495 360 V CB -1.472 30.293 31.823 -0.097 0.000 1.505 360 V HN 0.430 nan 8.190 nan 0.000 0.574 361 F N -0.385 119.584 119.950 0.030 0.000 2.859 361 F HA 0.473 5.000 4.527 -0.000 0.000 0.324 361 F C 1.883 177.723 175.800 0.067 0.000 1.158 361 F CA -0.627 57.403 58.000 0.051 0.000 1.147 361 F CB 0.450 39.482 39.000 0.053 0.000 1.137 361 F HN 0.100 nan 8.300 nan 0.000 0.516 362 R N 0.937 121.553 120.500 0.193 0.000 2.082 362 R HA -0.137 4.203 4.340 -0.000 0.000 0.234 362 R C -0.639 175.815 176.300 0.257 0.000 1.136 362 R CA 1.982 58.218 56.100 0.227 0.000 0.935 362 R CB -1.710 28.773 30.300 0.305 0.000 0.842 362 R HN 0.147 nan 8.270 nan 0.000 0.430 363 P HA -0.237 nan 4.420 nan 0.000 0.216 363 P C 1.376 178.692 177.300 0.027 0.000 1.150 363 P CA 1.348 64.507 63.100 0.099 0.000 0.843 363 P CB -0.110 31.482 31.700 -0.180 0.000 0.787 364 M N -0.580 119.054 119.600 0.056 0.000 2.099 364 M HA -0.123 4.357 4.480 -0.000 0.000 0.262 364 M C 1.743 178.171 176.300 0.212 0.000 1.067 364 M CA 1.991 57.385 55.300 0.157 0.000 1.124 364 M CB -0.826 31.989 32.600 0.358 0.000 1.353 364 M HN -0.197 nan 8.290 nan 0.000 0.410 365 V N 0.964 120.990 119.914 0.186 0.000 2.255 365 V HA -0.282 3.838 4.120 -0.000 0.000 0.247 365 V C 2.475 178.647 176.094 0.129 0.000 1.051 365 V CA 1.884 64.268 62.300 0.139 0.000 1.018 365 V CB -0.934 30.957 31.823 0.114 0.000 0.641 365 V HN 0.508 nan 8.190 nan 0.000 0.445 366 I N -0.205 120.431 120.570 0.109 0.000 2.286 366 I HA -0.241 3.929 4.170 -0.000 0.000 0.248 366 I C 2.369 178.556 176.117 0.117 0.000 1.115 366 I CA 1.991 63.336 61.300 0.075 0.000 1.392 366 I CB -0.583 37.406 38.000 -0.018 0.000 1.065 366 I HN 0.550 nan 8.210 nan 0.000 0.418 367 H N 0.714 119.796 119.070 0.019 0.000 2.293 367 H HA -0.147 4.409 4.556 -0.000 0.000 0.300 367 H C 2.049 177.403 175.328 0.043 0.000 1.082 367 H CA 2.446 58.486 56.048 -0.014 0.000 1.308 367 H CB -0.407 29.283 29.762 -0.119 0.000 1.375 367 H HN 0.373 nan 8.280 nan 0.000 0.495 368 N N -0.652 117.975 118.700 -0.121 0.000 2.084 368 N HA -0.165 4.575 4.740 -0.000 0.000 0.190 368 N C 1.890 177.340 175.510 -0.101 0.000 1.030 368 N CA 1.268 54.213 53.050 -0.176 0.000 0.849 368 N CB -0.394 38.060 38.487 -0.054 0.000 1.012 368 N HN 0.284 nan 8.380 nan 0.000 0.423 369 F N 2.391 122.260 119.950 -0.135 0.000 2.046 369 F HA -0.116 4.411 4.527 -0.000 0.000 0.297 369 F C 2.315 178.111 175.800 -0.006 0.000 1.123 369 F CA 1.249 59.223 58.000 -0.044 0.000 1.199 369 F CB -0.525 38.462 39.000 -0.021 0.000 0.972 369 F HN -0.079 nan 8.300 nan 0.000 0.474 370 L N 0.002 121.377 121.223 0.254 0.000 2.127 370 L HA -0.269 4.071 4.340 -0.000 0.000 0.211 370 L C 2.565 179.423 176.870 -0.019 0.000 1.089 370 L CA 1.692 56.609 54.840 0.128 0.000 0.757 370 L CB -0.783 41.333 42.059 0.095 0.000 0.899 370 L HN 0.387 nan 8.230 nan 0.000 0.434 371 Q N -0.289 119.456 119.800 -0.091 0.000 2.050 371 Q HA -0.195 4.145 4.340 -0.000 0.000 0.202 371 Q C 2.282 178.228 176.000 -0.090 0.000 0.980 371 Q CA 2.031 57.765 55.803 -0.115 0.000 0.840 371 Q CB 0.088 28.704 28.738 -0.203 0.000 0.898 371 Q HN 0.420 nan 8.270 nan 0.000 0.424 372 S N -0.017 115.624 115.700 -0.099 0.000 2.370 372 S HA -0.138 4.332 4.470 -0.000 0.000 0.226 372 S C 1.972 176.483 174.600 -0.149 0.000 1.033 372 S CA 1.394 59.532 58.200 -0.104 0.000 1.011 372 S CB -0.265 62.909 63.200 -0.044 0.000 0.852 372 S HN 0.281 nan 8.310 nan 0.000 0.457 373 V N 1.981 121.788 119.914 -0.178 0.000 2.407 373 V HA -0.162 3.958 4.120 -0.000 0.000 0.248 373 V C 2.455 178.508 176.094 -0.068 0.000 1.055 373 V CA 1.563 63.784 62.300 -0.132 0.000 1.049 373 V CB -0.650 31.126 31.823 -0.079 0.000 0.662 373 V HN 0.382 nan 8.190 nan 0.000 0.455 374 R N -0.271 120.198 120.500 -0.052 0.000 2.066 374 R HA -0.039 4.301 4.340 -0.000 0.000 0.232 374 R C 2.359 178.638 176.300 -0.035 0.000 1.131 374 R CA 1.348 57.428 56.100 -0.032 0.000 0.955 374 R CB -0.502 29.783 30.300 -0.026 0.000 0.851 374 R HN 0.400 nan 8.270 nan 0.000 0.432 375 L N 0.832 122.028 121.223 -0.046 0.000 1.970 375 L HA -0.244 4.096 4.340 -0.000 0.000 0.212 375 L C 2.544 179.385 176.870 -0.049 0.000 1.071 375 L CA 1.499 56.313 54.840 -0.044 0.000 0.751 375 L CB -0.627 41.401 42.059 -0.050 0.000 0.889 375 L HN 0.194 nan 8.230 nan 0.000 0.432 376 L N -0.508 120.673 121.223 -0.070 0.000 1.994 376 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 376 L C 2.918 179.759 176.870 -0.047 0.000 1.071 376 L CA 1.308 56.104 54.840 -0.074 0.000 0.745 376 L CB -0.802 41.195 42.059 -0.104 0.000 0.892 376 L HN 0.259 nan 8.230 nan 0.000 0.431 377 A N 0.021 122.817 122.820 -0.040 0.000 1.865 377 A HA -0.260 4.060 4.320 -0.000 0.000 0.217 377 A C 1.928 179.513 177.584 0.001 0.000 1.191 377 A CA 2.297 54.324 52.037 -0.017 0.000 0.623 377 A CB -0.672 18.319 19.000 -0.015 0.000 0.826 377 A HN 0.380 nan 8.150 nan 0.000 0.444 378 D N -0.599 119.802 120.400 0.001 0.000 2.144 378 D HA -0.012 4.628 4.640 -0.000 0.000 0.200 378 D C 2.080 178.397 176.300 0.029 0.000 0.978 378 D CA 1.311 55.320 54.000 0.016 0.000 0.833 378 D CB -0.680 40.125 40.800 0.008 0.000 0.961 378 D HN 0.426 nan 8.370 nan 0.000 0.470 379 G N 0.341 109.148 108.800 0.013 0.000 2.422 379 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.218 379 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.218 379 G C 1.583 176.522 174.900 0.064 0.000 1.146 379 G CA 0.508 45.621 45.100 0.021 0.000 0.769 379 G HN 0.212 nan 8.290 nan 0.000 0.547 380 M N -0.190 119.437 119.600 0.046 0.000 2.200 380 M HA 0.051 4.531 4.480 -0.000 0.000 0.265 380 M C 2.417 178.798 176.300 0.135 0.000 1.066 380 M CA 0.872 56.224 55.300 0.087 0.000 1.127 380 M CB -0.152 32.470 32.600 0.037 0.000 1.379 380 M HN 0.144 nan 8.290 nan 0.000 0.420 381 E N 0.203 120.459 120.200 0.094 0.000 2.072 381 E HA -0.155 4.195 4.350 -0.000 0.000 0.191 381 E C 2.027 178.706 176.600 0.131 0.000 0.985 381 E CA 1.300 57.755 56.400 0.090 0.000 0.801 381 E CB -0.064 29.675 29.700 0.064 0.000 0.750 381 E HN 0.290 nan 8.360 nan 0.000 0.452 382 S N -0.443 115.345 115.700 0.146 0.000 2.368 382 S HA -0.135 4.335 4.470 -0.000 0.000 0.225 382 S C 1.826 176.561 174.600 0.224 0.000 1.030 382 S CA 1.039 59.352 58.200 0.189 0.000 0.999 382 S CB -0.449 62.809 63.200 0.096 0.000 0.844 382 S HN 0.362 nan 8.310 nan 0.000 0.459 383 F N 2.717 122.700 119.950 0.055 0.000 2.146 383 F HA -0.011 4.516 4.527 0.000 0.000 0.298 383 F C 1.994 177.821 175.800 0.045 0.000 1.096 383 F CA 1.765 59.787 58.000 0.035 0.000 1.275 383 F CB -0.780 38.216 39.000 -0.006 0.000 1.008 383 F HN 0.309 nan 8.300 nan 0.000 0.480 384 N N 0.694 119.458 118.700 0.106 0.000 2.006 384 N HA -0.270 4.470 4.740 -0.000 0.000 0.196 384 N C 2.040 177.500 175.510 -0.083 0.000 1.057 384 N CA 2.305 55.360 53.050 0.008 0.000 0.853 384 N CB -0.492 38.036 38.487 0.068 0.000 1.051 384 N HN 0.341 nan 8.380 nan 0.000 0.423 385 K N -0.936 119.427 120.400 -0.061 0.000 2.002 385 K HA -0.166 4.154 4.320 -0.000 0.000 0.209 385 K C 0.948 177.369 176.600 -0.298 0.000 1.048 385 K CA 1.589 57.764 56.287 -0.188 0.000 0.930 385 K CB -0.255 32.099 32.500 -0.243 0.000 0.714 385 K HN 0.464 nan 8.250 nan 0.000 0.438 386 H N -1.625 117.392 119.070 -0.088 0.000 2.555 386 H HA 0.122 4.678 4.556 -0.000 0.000 0.283 386 H C 0.813 176.042 175.328 -0.165 0.000 1.037 386 H CA 0.150 56.139 56.048 -0.097 0.000 1.169 386 H CB 0.370 30.096 29.762 -0.059 0.000 1.375 386 H HN 0.267 nan 8.280 nan 0.000 0.582 387 C N -2.116 117.064 119.300 -0.200 0.000 3.331 387 C HA 0.417 4.877 4.460 -0.000 0.000 0.296 387 C C 2.711 177.502 174.990 -0.331 0.000 2.272 387 C CA 0.676 59.500 59.018 -0.323 0.000 1.480 387 C CB -0.692 26.692 27.740 -0.593 0.000 1.679 387 C HN 0.424 nan 8.230 nan 0.000 0.633 388 A N 1.539 124.051 122.820 -0.513 0.000 1.915 388 A HA -0.231 4.089 4.320 -0.000 0.000 0.220 388 A C 2.064 179.612 177.584 -0.060 0.000 1.198 388 A CA 3.835 55.729 52.037 -0.238 0.000 0.647 388 A CB -1.391 17.529 19.000 -0.134 0.000 0.825 388 A HN 1.519 nan 8.150 nan 0.000 0.456 389 V N -2.510 117.359 119.914 -0.074 0.000 2.626 389 V HA 0.088 4.207 4.120 -0.000 0.000 0.252 389 V C 2.048 178.137 176.094 -0.009 0.000 1.067 389 V CA 1.887 64.168 62.300 -0.032 0.000 1.081 389 V CB -1.362 30.429 31.823 -0.053 0.000 0.686 389 V HN 0.516 nan 8.190 nan 0.000 0.468 390 G N -0.016 108.767 108.800 -0.029 0.000 3.141 390 G HA2 0.296 4.256 3.960 -0.000 0.000 0.218 390 G HA3 0.296 4.256 3.960 -0.000 0.000 0.218 390 G C 0.544 175.469 174.900 0.041 0.000 1.170 390 G CA -0.357 44.743 45.100 -0.001 0.000 0.769 390 G HN 0.542 nan 8.290 nan 0.000 0.546 391 I N 1.854 122.474 120.570 0.082 0.000 2.505 391 I HA 0.151 4.321 4.170 -0.000 0.000 0.287 391 I C -0.422 175.822 176.117 0.213 0.000 1.104 391 I CA 0.220 61.606 61.300 0.143 0.000 1.387 391 I CB 0.693 38.827 38.000 0.224 0.000 1.404 391 I HN -0.011 nan 8.210 nan 0.000 0.528 392 E N 8.686 128.935 120.200 0.080 0.000 2.272 392 E HA 0.428 4.778 4.350 -0.000 0.000 0.269 392 E C -2.502 173.987 176.600 -0.185 0.000 0.877 392 E CA -2.058 54.333 56.400 -0.015 0.000 0.755 392 E CB 2.134 31.851 29.700 0.028 0.000 1.192 392 E HN 0.257 nan 8.360 nan 0.000 0.422 393 P HA 0.209 nan 4.420 nan 0.000 0.279 393 P C -0.395 176.798 177.300 -0.178 0.000 1.239 393 P CA -0.557 62.332 63.100 -0.350 0.000 0.789 393 P CB 0.729 32.085 31.700 -0.574 0.000 0.933 394 N N 3.407 122.041 118.700 -0.110 0.000 3.034 394 N HA 0.118 4.858 4.740 -0.000 0.000 0.265 394 N C 1.343 176.819 175.510 -0.056 0.000 1.166 394 N CA -0.174 52.839 53.050 -0.061 0.000 1.081 394 N CB 0.069 38.536 38.487 -0.032 0.000 1.378 394 N HN 0.323 nan 8.380 nan 0.000 0.520 395 R N 0.744 121.207 120.500 -0.063 0.000 2.133 395 R HA -0.226 4.114 4.340 -0.000 0.000 0.247 395 R C 1.690 177.976 176.300 -0.024 0.000 1.151 395 R CA 1.427 57.499 56.100 -0.046 0.000 0.971 395 R CB 0.083 30.360 30.300 -0.039 0.000 0.866 395 R HN 0.538 nan 8.270 nan 0.000 0.447 396 E N 0.437 120.627 120.200 -0.017 0.000 2.072 396 E HA -0.217 4.133 4.350 -0.000 0.000 0.191 396 E C 2.064 178.661 176.600 -0.004 0.000 0.985 396 E CA 0.971 57.367 56.400 -0.008 0.000 0.801 396 E CB 0.097 29.794 29.700 -0.005 0.000 0.750 396 E HN 0.031 nan 8.360 nan 0.000 0.452 397 R N 0.729 121.225 120.500 -0.006 0.000 2.115 397 R HA -0.012 4.328 4.340 -0.000 0.000 0.226 397 R C 2.053 178.355 176.300 0.003 0.000 1.100 397 R CA 1.166 57.267 56.100 0.001 0.000 0.980 397 R CB -0.447 29.855 30.300 0.004 0.000 0.875 397 R HN 0.281 nan 8.270 nan 0.000 0.445 398 I N 0.588 121.154 120.570 -0.007 0.000 2.179 398 I HA -0.298 3.872 4.170 -0.000 0.000 0.242 398 I C 1.673 177.791 176.117 0.002 0.000 1.088 398 I CA 1.440 62.736 61.300 -0.007 0.000 1.357 398 I CB -0.426 37.559 38.000 -0.026 0.000 1.051 398 I HN 0.273 nan 8.210 nan 0.000 0.409 399 N N 0.457 119.158 118.700 0.002 0.000 2.188 399 N HA -0.224 4.516 4.740 -0.000 0.000 0.184 399 N C 1.833 177.352 175.510 0.016 0.000 1.018 399 N CA 1.061 54.117 53.050 0.010 0.000 0.858 399 N CB -0.277 38.215 38.487 0.010 0.000 0.989 399 N HN 0.462 nan 8.380 nan 0.000 0.426 400 Q N 0.939 120.746 119.800 0.012 0.000 2.077 400 Q HA -0.110 4.230 4.340 -0.000 0.000 0.206 400 Q C 2.005 178.016 176.000 0.019 0.000 0.989 400 Q CA 1.190 57.002 55.803 0.014 0.000 0.853 400 Q CB -0.035 28.710 28.738 0.011 0.000 0.907 400 Q HN 0.357 nan 8.270 nan 0.000 0.418 401 L N 0.234 121.469 121.223 0.019 0.000 2.217 401 L HA -0.111 4.229 4.340 -0.000 0.000 0.211 401 L C 2.383 179.268 176.870 0.024 0.000 1.107 401 L CA 0.312 55.165 54.840 0.022 0.000 0.783 401 L CB -0.230 41.843 42.059 0.023 0.000 0.919 401 L HN 0.344 nan 8.230 nan 0.000 0.442 402 L N -0.151 121.087 121.223 0.024 0.000 2.131 402 L HA -0.114 4.226 4.340 -0.000 0.000 0.206 402 L C 2.225 179.120 176.870 0.042 0.000 1.087 402 L CA 1.003 55.860 54.840 0.029 0.000 0.767 402 L CB -0.202 41.872 42.059 0.025 0.000 0.917 402 L HN 0.401 nan 8.230 nan 0.000 0.441 403 N N 0.057 118.784 118.700 0.045 0.000 2.216 403 N HA -0.161 4.579 4.740 -0.000 0.000 0.183 403 N C 1.466 177.008 175.510 0.054 0.000 1.017 403 N CA 1.049 54.136 53.050 0.062 0.000 0.861 403 N CB -0.090 38.428 38.487 0.053 0.000 0.986 403 N HN 0.412 nan 8.380 nan 0.000 0.428 404 E N 0.627 120.848 120.200 0.036 0.000 2.418 404 E HA 0.006 4.356 4.350 -0.000 0.000 0.197 404 E C 0.481 177.102 176.600 0.036 0.000 1.026 404 E CA -0.034 56.384 56.400 0.030 0.000 0.862 404 E CB 0.177 29.890 29.700 0.023 0.000 0.799 404 E HN 0.080 nan 8.360 nan 0.000 0.518 405 S N 0.026 115.749 115.700 0.039 0.000 2.593 405 S HA 0.129 4.599 4.470 -0.000 0.000 0.269 405 S C 0.737 175.361 174.600 0.040 0.000 1.334 405 S CA -0.375 57.845 58.200 0.032 0.000 1.015 405 S CB 0.608 63.824 63.200 0.027 0.000 0.912 405 S HN 0.174 nan 8.310 nan 0.000 0.541 406 L N 3.033 124.269 121.223 0.022 0.000 2.693 406 L HA 0.197 4.537 4.340 -0.000 0.000 0.235 406 L C 1.551 178.428 176.870 0.010 0.000 1.127 406 L CA -0.166 54.686 54.840 0.020 0.000 0.914 406 L CB -0.076 41.975 42.059 -0.012 0.000 1.193 406 L HN 0.585 nan 8.230 nan 0.000 0.502 407 M N -0.194 119.411 119.600 0.009 0.000 2.492 407 M HA 0.020 4.500 4.480 -0.000 0.000 0.262 407 M C 1.868 178.176 176.300 0.014 0.000 1.090 407 M CA 1.207 56.509 55.300 0.003 0.000 1.110 407 M CB -0.467 32.132 32.600 -0.002 0.000 1.407 407 M HN 0.279 nan 8.290 nan 0.000 0.470 408 L N -0.838 120.403 121.223 0.030 0.000 2.610 408 L HA -0.025 4.315 4.340 -0.000 0.000 0.232 408 L C 2.191 179.074 176.870 0.021 0.000 1.149 408 L CA -0.144 54.711 54.840 0.025 0.000 0.872 408 L CB -0.511 41.571 42.059 0.038 0.000 0.992 408 L HN 0.056 nan 8.230 nan 0.000 0.447 409 V N -0.200 119.734 119.914 0.034 0.000 2.913 409 V HA -0.227 3.893 4.120 -0.000 0.000 0.260 409 V C 2.234 178.336 176.094 0.014 0.000 1.098 409 V CA 2.182 64.503 62.300 0.034 0.000 1.121 409 V CB -0.224 31.611 31.823 0.020 0.000 0.714 409 V HN 0.518 nan 8.190 nan 0.000 0.487 410 T N 0.481 115.042 114.554 0.012 0.000 2.881 410 T HA -0.078 4.272 4.350 -0.000 0.000 0.270 410 T C 1.940 176.657 174.700 0.029 0.000 1.068 410 T CA 1.332 63.446 62.100 0.022 0.000 1.131 410 T CB -0.350 68.532 68.868 0.024 0.000 0.871 410 T HN 0.662 nan 8.240 nan 0.000 0.479 411 A N 1.245 124.078 122.820 0.022 0.000 1.968 411 A HA 0.169 4.489 4.320 -0.000 0.000 0.217 411 A C 2.040 179.675 177.584 0.084 0.000 1.169 411 A CA 0.775 52.833 52.037 0.034 0.000 0.638 411 A CB -0.567 18.438 19.000 0.009 0.000 0.812 411 A HN 0.505 nan 8.150 nan 0.000 0.446 412 L N -0.007 121.267 121.223 0.084 0.000 2.599 412 L HA -0.012 4.328 4.340 -0.000 0.000 0.230 412 L C 1.689 178.632 176.870 0.121 0.000 1.141 412 L CA 0.158 55.089 54.840 0.151 0.000 0.877 412 L CB -0.546 41.611 42.059 0.164 0.000 1.009 412 L HN 0.483 nan 8.230 nan 0.000 0.447 413 N N 0.012 118.757 118.700 0.074 0.000 2.250 413 N HA -0.102 4.638 4.740 -0.000 0.000 0.181 413 N C 1.311 176.835 175.510 0.024 0.000 1.017 413 N CA 1.637 54.733 53.050 0.076 0.000 0.866 413 N CB 0.122 38.681 38.487 0.119 0.000 0.985 413 N HN 0.343 nan 8.380 nan 0.000 0.429 414 T N -2.154 112.370 114.554 -0.051 0.000 3.278 414 T HA 0.160 4.510 4.350 -0.000 0.000 0.251 414 T C 0.608 175.059 174.700 -0.416 0.000 1.039 414 T CA 0.127 62.111 62.100 -0.193 0.000 0.935 414 T CB 0.109 68.839 68.868 -0.229 0.000 1.034 414 T HN 0.226 nan 8.240 nan 0.000 0.575 415 H N -0.465 118.480 119.070 -0.209 0.000 2.356 415 H HA 0.375 4.931 4.556 -0.000 0.000 0.149 415 H C 1.031 176.262 175.328 -0.162 0.000 1.057 415 H CA -0.085 55.731 56.048 -0.388 0.000 1.093 415 H CB 0.129 29.453 29.762 -0.730 0.000 0.960 415 H HN 0.258 nan 8.280 nan 0.000 0.316 416 I N 1.304 121.972 120.570 0.163 0.000 3.603 416 I HA 0.260 4.430 4.170 -0.000 0.000 0.297 416 I C 0.629 176.790 176.117 0.073 0.000 1.269 416 I CA 1.257 62.654 61.300 0.162 0.000 1.361 416 I CB 0.010 38.157 38.000 0.246 0.000 1.063 416 I HN 0.549 nan 8.210 nan 0.000 0.448 417 G N -0.902 107.939 108.800 0.069 0.000 2.570 417 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.686 417 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.686 417 G C -0.035 174.931 174.900 0.111 0.000 1.257 417 G CA -0.039 45.105 45.100 0.073 0.000 0.846 417 G HN 0.095 nan 8.290 nan 0.000 0.627 418 Y N 0.182 120.491 120.300 0.014 0.000 2.395 418 Y HA 0.088 4.638 4.550 0.000 0.000 0.293 418 Y C 2.364 178.286 175.900 0.036 0.000 1.123 418 Y CA 2.398 60.512 58.100 0.023 0.000 1.227 418 Y CB 0.091 38.556 38.460 0.009 0.000 1.012 418 Y HN 0.772 nan 8.280 nan 0.000 0.552 419 D N -0.344 120.145 120.400 0.149 0.000 2.077 419 D HA -0.169 4.471 4.640 -0.000 0.000 0.196 419 D C 1.904 178.233 176.300 0.048 0.000 0.986 419 D CA 1.732 55.787 54.000 0.092 0.000 0.829 419 D CB 0.043 40.891 40.800 0.080 0.000 0.983 419 D HN 0.211 nan 8.370 nan 0.000 0.453 420 K N 0.040 120.466 120.400 0.042 0.000 2.155 420 K HA 0.049 4.369 4.320 -0.000 0.000 0.203 420 K C 2.161 178.865 176.600 0.173 0.000 1.052 420 K CA 0.772 57.122 56.287 0.105 0.000 0.948 420 K CB -0.036 32.406 32.500 -0.097 0.000 0.728 420 K HN 0.137 nan 8.250 nan 0.000 0.448 421 A N 1.909 124.774 122.820 0.075 0.000 1.858 421 A HA -0.107 4.213 4.320 -0.000 0.000 0.216 421 A C 2.395 179.965 177.584 -0.022 0.000 1.190 421 A CA 1.895 53.962 52.037 0.048 0.000 0.617 421 A CB -0.747 18.248 19.000 -0.009 0.000 0.827 421 A HN 0.308 nan 8.150 nan 0.000 0.443 422 A N -0.913 121.810 122.820 -0.161 0.000 2.172 422 A HA -0.073 4.247 4.320 -0.000 0.000 0.216 422 A C 1.888 179.447 177.584 -0.042 0.000 1.154 422 A CA 1.577 53.507 52.037 -0.178 0.000 0.701 422 A CB -0.423 18.358 19.000 -0.366 0.000 0.789 422 A HN 0.702 nan 8.150 nan 0.000 0.465 423 E N 0.181 120.398 120.200 0.029 0.000 2.076 423 E HA -0.102 4.248 4.350 -0.000 0.000 0.190 423 E C 1.937 178.575 176.600 0.064 0.000 0.979 423 E CA 1.130 57.580 56.400 0.083 0.000 0.807 423 E CB -0.197 29.615 29.700 0.186 0.000 0.761 423 E HN 0.805 nan 8.360 nan 0.000 0.454 424 I N -1.905 118.712 120.570 0.079 0.000 2.439 424 I HA 0.016 4.186 4.170 -0.000 0.000 0.251 424 I C 2.333 178.466 176.117 0.026 0.000 1.139 424 I CA 1.096 62.410 61.300 0.023 0.000 1.438 424 I CB -0.257 37.780 38.000 0.061 0.000 1.085 424 I HN -0.018 nan 8.210 nan 0.000 0.427 425 A N 1.803 124.646 122.820 0.039 0.000 1.897 425 A HA -0.171 4.149 4.320 -0.000 0.000 0.215 425 A C 2.475 180.090 177.584 0.052 0.000 1.181 425 A CA 1.700 53.760 52.037 0.038 0.000 0.620 425 A CB -0.567 18.441 19.000 0.013 0.000 0.821 425 A HN 0.463 nan 8.150 nan 0.000 0.443 426 K N -0.199 120.227 120.400 0.043 0.000 2.283 426 K HA -0.093 4.227 4.320 -0.000 0.000 0.202 426 K C 1.680 178.319 176.600 0.064 0.000 1.048 426 K CA 1.357 57.687 56.287 0.070 0.000 0.948 426 K CB -0.062 32.466 32.500 0.047 0.000 0.742 426 K HN 0.466 nan 8.250 nan 0.000 0.458 427 K N -0.799 119.618 120.400 0.029 0.000 2.242 427 K HA 0.079 4.399 4.320 -0.000 0.000 0.200 427 K C 1.943 178.540 176.600 -0.006 0.000 1.050 427 K CA 0.647 56.933 56.287 -0.003 0.000 0.981 427 K CB 0.257 32.737 32.500 -0.034 0.000 0.795 427 K HN 0.071 nan 8.250 nan 0.000 0.477 428 A N 1.240 124.069 122.820 0.015 0.000 1.929 428 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 428 A C 2.013 179.629 177.584 0.054 0.000 1.176 428 A CA 1.235 53.281 52.037 0.015 0.000 0.628 428 A CB -0.680 18.332 19.000 0.020 0.000 0.816 428 A HN 0.365 nan 8.150 nan 0.000 0.444 429 H N -0.501 118.560 119.070 -0.017 0.000 2.284 429 H HA -0.112 4.444 4.556 -0.000 0.000 0.304 429 H C 2.202 177.522 175.328 -0.013 0.000 1.069 429 H CA 1.912 57.953 56.048 -0.012 0.000 1.327 429 H CB 0.003 29.760 29.762 -0.008 0.000 1.387 429 H HN 0.322 nan 8.280 nan 0.000 0.498 430 K N 0.872 121.172 120.400 -0.167 0.000 2.044 430 K HA -0.156 4.164 4.320 -0.000 0.000 0.210 430 K C 2.224 178.731 176.600 -0.155 0.000 1.049 430 K CA 2.112 58.271 56.287 -0.214 0.000 0.927 430 K CB -0.119 32.332 32.500 -0.082 0.000 0.713 430 K HN 0.509 nan 8.250 nan 0.000 0.443 431 E N -1.869 118.276 120.200 -0.092 0.000 2.033 431 E HA 0.058 4.408 4.350 -0.000 0.000 0.189 431 E C 0.294 176.852 176.600 -0.071 0.000 0.979 431 E CA 0.888 57.245 56.400 -0.072 0.000 0.802 431 E CB 0.096 29.763 29.700 -0.055 0.000 0.763 431 E HN 0.438 nan 8.360 nan 0.000 0.449 432 G N 1.013 109.778 108.800 -0.059 0.000 2.857 432 G HA2 0.007 3.967 3.960 -0.000 0.000 0.166 432 G HA3 0.007 3.967 3.960 -0.000 0.000 0.166 432 G C -0.416 174.467 174.900 -0.029 0.000 1.060 432 G CA 0.049 45.124 45.100 -0.042 0.000 0.976 432 G HN 0.171 nan 8.290 nan 0.000 0.549 433 L N -2.934 118.276 121.223 -0.021 0.000 2.656 433 L HA 0.989 5.329 4.340 -0.000 0.000 0.252 433 L C 0.443 177.300 176.870 -0.023 0.000 1.129 433 L CA -0.765 54.058 54.840 -0.030 0.000 0.962 433 L CB 0.716 42.745 42.059 -0.051 0.000 1.565 433 L HN 0.403 nan 8.230 nan 0.000 0.389 434 T N -1.574 112.952 114.554 -0.047 0.000 2.816 434 T HA 0.444 4.794 4.350 -0.000 0.000 0.282 434 T C 0.947 175.600 174.700 -0.078 0.000 0.993 434 T CA -0.510 61.561 62.100 -0.049 0.000 0.994 434 T CB 0.906 69.731 68.868 -0.073 0.000 1.025 434 T HN 0.537 nan 8.240 nan 0.000 0.529 435 L N 0.151 121.347 121.223 -0.045 0.000 2.156 435 L HA 0.206 4.546 4.340 -0.000 0.000 0.208 435 L C 2.719 179.364 176.870 -0.375 0.000 1.095 435 L CA 1.320 56.146 54.840 -0.023 0.000 0.770 435 L CB -1.117 41.088 42.059 0.243 0.000 0.914 435 L HN 0.775 nan 8.230 nan 0.000 0.439 436 K N 0.818 120.768 120.400 -0.749 0.000 1.991 436 K HA -0.176 4.144 4.320 -0.000 0.000 0.212 436 K C 2.165 178.365 176.600 -0.667 0.000 1.049 436 K CA 1.644 57.112 56.287 -1.365 0.000 0.932 436 K CB -0.239 31.740 32.500 -0.868 0.000 0.717 436 K HN 0.283 nan 8.250 nan 0.000 0.441 437 A N 0.607 123.202 122.820 -0.375 0.000 2.067 437 A HA -0.031 4.289 4.320 -0.000 0.000 0.219 437 A C 2.163 179.626 177.584 -0.202 0.000 1.158 437 A CA 1.658 53.553 52.037 -0.238 0.000 0.661 437 A CB -0.527 18.377 19.000 -0.161 0.000 0.801 437 A HN 0.520 nan 8.150 nan 0.000 0.452 438 A N -0.248 122.452 122.820 -0.201 0.000 1.897 438 A HA 0.292 4.612 4.320 -0.000 0.000 0.215 438 A C 2.431 179.912 177.584 -0.172 0.000 1.181 438 A CA 1.649 53.595 52.037 -0.151 0.000 0.620 438 A CB -0.798 18.144 19.000 -0.098 0.000 0.821 438 A HN 0.925 nan 8.150 nan 0.000 0.443 439 A N -0.827 121.893 122.820 -0.168 0.000 1.970 439 A HA 0.122 4.442 4.320 -0.000 0.000 0.216 439 A C 2.035 179.544 177.584 -0.126 0.000 1.170 439 A CA 1.426 53.404 52.037 -0.100 0.000 0.645 439 A CB -0.469 18.583 19.000 0.087 0.000 0.816 439 A HN 0.525 nan 8.150 nan 0.000 0.447 440 L N -0.358 120.763 121.223 -0.171 0.000 2.141 440 L HA 0.022 4.362 4.340 -0.000 0.000 0.209 440 L C 2.534 179.330 176.870 -0.122 0.000 1.094 440 L CA 1.907 56.664 54.840 -0.138 0.000 0.763 440 L CB -0.549 41.408 42.059 -0.169 0.000 0.908 440 L HN 0.324 nan 8.230 nan 0.000 0.437 441 A N -1.240 121.493 122.820 -0.144 0.000 2.016 441 A HA 0.007 4.327 4.320 -0.000 0.000 0.217 441 A C 2.079 179.571 177.584 -0.153 0.000 1.162 441 A CA 0.986 52.945 52.037 -0.129 0.000 0.662 441 A CB -0.553 18.373 19.000 -0.123 0.000 0.812 441 A HN 0.429 nan 8.150 nan 0.000 0.450 442 L N -1.042 120.034 121.223 -0.244 0.000 2.599 442 L HA 0.133 4.473 4.340 -0.000 0.000 0.230 442 L C 1.773 178.503 176.870 -0.232 0.000 1.141 442 L CA 0.554 55.159 54.840 -0.392 0.000 0.877 442 L CB -0.261 41.263 42.059 -0.892 0.000 1.009 442 L HN 0.570 nan 8.230 nan 0.000 0.447 443 G N -0.887 107.865 108.800 -0.080 0.000 2.168 443 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.263 443 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.263 443 G C 0.636 175.667 174.900 0.218 0.000 0.977 443 G CA 0.559 45.693 45.100 0.056 0.000 0.659 443 G HN 0.244 nan 8.290 nan 0.000 0.533 444 Y N -0.535 119.770 120.300 0.009 0.000 2.220 444 Y HA 0.391 4.941 4.550 -0.000 0.000 0.291 444 Y C 2.014 177.921 175.900 0.012 0.000 1.129 444 Y CA 0.861 58.980 58.100 0.032 0.000 1.161 444 Y CB -0.216 38.279 38.460 0.058 0.000 0.997 444 Y HN 0.330 nan 8.280 nan 0.000 0.522 445 L N -1.449 119.862 121.223 0.147 0.000 2.301 445 L HA 0.498 4.838 4.340 -0.000 0.000 0.249 445 L C -0.141 176.705 176.870 -0.041 0.000 1.069 445 L CA -1.036 53.804 54.840 -0.001 0.000 0.865 445 L CB 2.147 44.209 42.059 0.006 0.000 1.467 445 L HN -0.178 nan 8.230 nan 0.000 0.419 446 S N -2.253 113.386 115.700 -0.102 0.000 2.671 446 S HA 0.293 4.763 4.470 -0.000 0.000 0.299 446 S C 0.412 174.963 174.600 -0.081 0.000 1.116 446 S CA -0.662 57.485 58.200 -0.088 0.000 0.912 446 S CB 1.950 65.096 63.200 -0.090 0.000 1.130 446 S HN 0.742 nan 8.310 nan 0.000 0.501 447 E N 0.475 120.634 120.200 -0.069 0.000 2.160 447 E HA -0.178 4.172 4.350 -0.000 0.000 0.195 447 E C 1.911 178.489 176.600 -0.037 0.000 0.991 447 E CA 1.397 57.768 56.400 -0.047 0.000 0.810 447 E CB -0.444 29.225 29.700 -0.051 0.000 0.742 447 E HN 0.766 nan 8.360 nan 0.000 0.466 448 A N 0.747 123.522 122.820 -0.075 0.000 1.929 448 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 448 A C 1.881 179.354 177.584 -0.184 0.000 1.176 448 A CA 1.251 53.232 52.037 -0.093 0.000 0.628 448 A CB -0.283 18.667 19.000 -0.083 0.000 0.816 448 A HN 0.276 nan 8.150 nan 0.000 0.444 449 E N -1.294 118.728 120.200 -0.297 0.000 2.047 449 E HA -0.127 4.223 4.350 -0.000 0.000 0.191 449 E C 1.778 177.994 176.600 -0.640 0.000 0.987 449 E CA 1.145 57.139 56.400 -0.677 0.000 0.799 449 E CB -0.272 28.945 29.700 -0.806 0.000 0.752 449 E HN 0.636 nan 8.360 nan 0.000 0.449 450 F N 2.591 122.297 119.950 -0.406 0.000 2.026 450 F HA -0.227 4.300 4.527 -0.000 0.000 0.296 450 F C 1.824 177.551 175.800 -0.123 0.000 1.133 450 F CA 1.784 59.655 58.000 -0.216 0.000 1.188 450 F CB -0.079 38.844 39.000 -0.128 0.000 0.968 450 F HN -0.094 nan 8.300 nan 0.000 0.476 451 D N -0.716 119.768 120.400 0.138 0.000 2.354 451 D HA -0.155 4.485 4.640 -0.000 0.000 0.216 451 D C 2.235 178.528 176.300 -0.012 0.000 0.970 451 D CA 1.225 55.272 54.000 0.077 0.000 0.905 451 D CB -0.264 40.586 40.800 0.082 0.000 0.903 451 D HN 0.281 nan 8.370 nan 0.000 0.508 452 S N -1.077 114.583 115.700 -0.067 0.000 2.427 452 S HA -0.036 4.434 4.470 -0.000 0.000 0.224 452 S C 1.483 176.156 174.600 0.122 0.000 1.047 452 S CA 0.053 58.254 58.200 0.001 0.000 0.953 452 S CB -0.015 63.166 63.200 -0.032 0.000 0.824 452 S HN 0.178 nan 8.310 nan 0.000 0.502 453 W N 1.924 123.091 121.300 -0.222 0.000 2.443 453 W HA 0.319 4.979 4.660 0.000 0.000 0.296 453 W C 0.755 177.125 176.519 -0.247 0.000 1.202 453 W CA -0.252 56.910 57.345 -0.305 0.000 1.312 453 W CB -1.223 27.916 29.460 -0.535 0.000 1.120 453 W HN -0.018 nan 8.180 nan 0.000 0.536 454 V N 3.438 123.267 119.914 -0.141 0.000 2.287 454 V HA 0.116 4.236 4.120 -0.000 0.000 0.246 454 V C 0.238 176.275 176.094 -0.095 0.000 1.165 454 V CA -0.016 62.148 62.300 -0.227 0.000 1.088 454 V CB -1.106 30.351 31.823 -0.611 0.000 1.242 454 V HN -0.088 nan 8.190 nan 0.000 0.497 455 R N 6.284 126.768 120.500 -0.027 0.000 2.272 455 R HA 0.307 4.647 4.340 -0.000 0.000 0.323 455 R C -1.625 174.675 176.300 0.001 0.000 1.002 455 R CA -1.620 54.480 56.100 -0.001 0.000 0.900 455 R CB 1.726 32.038 30.300 0.020 0.000 1.151 455 R HN 0.376 nan 8.270 nan 0.000 0.507 456 P HA -0.200 nan 4.420 nan 0.000 0.221 456 P C 0.679 177.984 177.300 0.008 0.000 1.150 456 P CA 1.143 64.247 63.100 0.007 0.000 0.800 456 P CB 0.388 32.096 31.700 0.012 0.000 0.787 457 E N 0.837 121.043 120.200 0.010 0.000 2.409 457 E HA -0.183 4.167 4.350 -0.000 0.000 0.198 457 E C 1.096 177.701 176.600 0.009 0.000 1.024 457 E CA 0.910 57.316 56.400 0.010 0.000 0.861 457 E CB -0.716 28.992 29.700 0.013 0.000 0.788 457 E HN 0.441 nan 8.360 nan 0.000 0.521 458 Q N 0.165 119.970 119.800 0.008 0.000 2.188 458 Q HA 0.303 4.643 4.340 -0.000 0.000 0.212 458 Q C -0.477 175.525 176.000 0.003 0.000 0.846 458 Q CA -0.521 55.285 55.803 0.006 0.000 0.989 458 Q CB 0.077 28.820 28.738 0.009 0.000 1.114 458 Q HN 0.018 nan 8.270 nan 0.000 0.488 459 M N 0.000 119.602 119.600 0.003 0.000 2.572 459 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 459 M CA 0.000 55.301 55.300 0.002 0.000 0.988 459 M CB 0.000 32.600 32.600 -0.000 0.000 1.302 459 M HN 0.000 nan 8.290 nan 0.000 0.411